data_5aaq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5aaq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.02 152.06 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.19 112.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.0 t -76.56 112.89 24.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.42 -1.68 11.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.326 2.017 . . . . 0.0 112.346 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.4 -29.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.412 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 51.3 m -124.52 -8.13 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.871 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.62 41.65 7.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.06 139.93 49.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.46 141.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.651 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 92.3 m-85 -131.7 116.53 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.75 157.5 12.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.573 2.182 . . . . 0.0 112.27 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.64 -33.21 54.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.0 t -73.91 -22.35 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.437 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.05 18.06 9.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.845 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 13.5 tttt -54.8 -38.59 67.51 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -47.53 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.823 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mm -65.94 -35.4 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.695 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.481 ' CE1' HG23 ' A' ' 441' ' ' VAL . 13.9 t80 -65.62 -45.79 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.204 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.47 -44.02 89.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.95 -36.88 83.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.39 -47.49 76.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.6 t -67.75 -32.95 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.194 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.9 -43.23 99.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.6 -30.91 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.18 -16.85 55.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 8.0 m -102.06 -15.15 16.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.906 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.458 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -138.02 151.12 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 112.92 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.9 t -78.7 112.59 28.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -75.17 -4.66 15.69 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.594 2.196 . . . . 0.0 112.253 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.74 -30.93 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.338 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 47.0 m -122.94 -11.61 8.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.814 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 11.3 t70 67.62 39.12 2.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -114.97 140.82 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 147.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.2 m-85 -138.02 115.97 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 157.39 13.08 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.595 2.196 . . . . 0.0 112.202 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.18 54.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.321 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.9 p -74.32 -22.59 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.501 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.07 16.23 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 66.7 tttt -54.91 -34.2 62.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.96 0.409 . . . . 0.0 110.348 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.43 -49.73 70.37 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.09 -34.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 11.8 t80 -64.91 -45.9 83.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.917 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -58.7 -44.11 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -67.15 -36.71 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.004 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.452 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.53 -47.5 78.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.062 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -68.1 -34.7 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.934 0.397 . . . . 0.0 110.457 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.647 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.69 -31.45 57.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.17 -20.98 47.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 21.9 m -96.06 -15.17 22.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.366 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.872 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.673 ' HE1' ' CE2' ' A' ' 420' ' ' PHE . 21.9 m-85 -129.69 158.41 39.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.294 0.569 . . . . 0.0 112.109 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.88 127.51 21.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.989 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.35 113.01 60.7 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -0.36 10.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.339 2.026 . . . . 0.0 112.517 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.39 -27.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.43 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 59.4 m -125.14 -8.36 7.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.761 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.26 42.15 15.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 143.02 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.97 149.03 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.407 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 69.6 m-85 -135.43 124.68 16.2 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.28 158.47 30.77 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.998 2.465 . . . . 0.0 111.911 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.36 52.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -6.68 53.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.479 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -105.91 18.18 22.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.074 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.416 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 36.0 tttt -60.86 -41.12 95.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.115 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.22 -49.44 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.046 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.6 mp -65.56 -33.9 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.969 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 12.3 t80 -63.83 -47.25 81.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.897 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.24 -43.34 87.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.846 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.98 -36.84 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.808 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.97 -47.11 81.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.4 t -66.65 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.254 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.583 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.77 -29.83 55.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.9 m-70 -79.06 -25.97 43.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 42.8 m -92.53 -15.12 27.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.449 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.9 m-85 -137.05 151.64 49.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.04 112.92 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.2 112.83 28.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.2 -2.48 12.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.396 2.064 . . . . 0.0 112.409 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 15.8 mt -96.04 -30.38 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 39.6 m -124.0 -10.77 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.783 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.5 40.38 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.52 140.77 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.94 146.35 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.649 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 83.9 m-85 -138.04 116.29 9.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.89 157.46 12.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.631 2.221 . . . . 0.0 112.271 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.67 -33.3 54.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 4.1 t -74.87 -21.79 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -91.69 16.29 10.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -54.92 -35.56 64.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.41 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.32 -49.69 70.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.8 mt -67.41 -34.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 11.6 t80 -65.8 -45.64 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.988 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.71 -44.06 90.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.881 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -67.04 -36.85 82.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.076 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.47 -47.48 78.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.027 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -68.2 -32.94 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -43.53 98.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.615 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.65 -31.04 56.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.07 -19.71 50.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 33.2 p -97.85 -15.1 20.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.895 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.624 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 68.2 m-85 -138.01 151.62 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.1 112.89 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.756 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 112.69 26.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.68 -3.74 14.35 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.549 2.166 . . . . 0.0 112.167 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.82 -29.72 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.347 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.416 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 40.3 m -125.19 -7.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.68 36.1 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -108.58 137.52 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -97.93 138.83 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 78.3 m-85 -131.31 123.81 19.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.36 157.7 53.03 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.582 2.188 . . . . 0.0 112.028 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.99 51.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 5.9 t -71.98 -25.77 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.73 17.01 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -54.84 -33.85 62.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.97 0.414 . . . . 0.0 110.3 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -64.45 -49.68 70.51 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.807 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.22 -34.4 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.935 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 10.4 t80 -64.89 -45.7 84.82 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.74 -44.16 90.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.814 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.09 -36.78 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.011 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.444 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.01 -47.58 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.48 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -67.58 -32.84 58.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.403 . . . . 0.0 110.445 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.608 ' HD2' ' CD1' ' A' ' 442' ' ' PHE . 1.1 m-85 -62.83 -43.73 98.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.681 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.66 -31.2 57.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.05 -19.99 50.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 2.5 m -97.83 -15.21 20.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.463 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 66.4 m-85 -137.98 151.57 48.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.06 112.99 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.742 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.62 113.11 26.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.96 -1.46 11.63 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.325 2.017 . . . . 0.0 112.281 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.61 -29.82 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.3 m -123.88 -8.31 7.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.712 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.66 40.36 7.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -114.99 142.16 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.2 mt -99.12 146.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.4 m-85 -138.07 115.23 9.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 157.31 13.16 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.431 2.087 . . . . 0.0 112.227 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.33 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.313 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -23.14 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.56 16.5 11.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -32.99 62.16 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.93 0.395 . . . . 0.0 110.431 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.42 -49.77 70.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.883 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mp -68.45 -34.06 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.481 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 10.9 t80 -64.57 -46.65 81.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.973 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.82 -44.03 90.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -67.12 -36.75 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.8 t60 -64.52 -47.67 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -67.33 -32.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 110.384 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.622 ' HD1' ' CD2' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -63.32 -43.74 96.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.764 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.69 -30.34 55.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.6 m-70 -79.2 -20.22 48.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 -15.15 18.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.248 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.737 0.303 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.624 ' HD2' ' CD1' ' A' ' 420' ' ' PHE . 73.2 m-85 -138.09 154.59 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.19 113.55 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.816 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.65 112.99 28.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.84 -1.22 11.35 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.457 2.105 . . . . 0.0 112.411 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.03 -30.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 44.5 m -122.86 -10.0 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.744 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 15.5 t70 67.0 37.14 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.812 0.339 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -109.51 146.65 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.89 143.29 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.45 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.5 m-85 -136.64 123.84 14.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.23 157.73 56.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.487 2.125 . . . . 0.0 112.032 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.12 43.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.269 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -25.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.469 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 16.91 11.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -33.16 61.81 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.293 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.45 -49.71 70.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.835 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.4 mt -68.46 -34.75 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.936 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.474 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 9.8 t80 -64.25 -46.42 83.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.854 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -44.09 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.824 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.91 -36.7 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.961 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.474 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -67.09 -32.84 59.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -43.27 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.67 -30.5 55.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.792 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.78 50.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 63.1 p -96.5 -15.15 21.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.308 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.844 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.66 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 58.4 m-85 -137.4 153.3 50.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 0.0 111.848 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.11 124.94 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' ASP . 44.9 t -89.01 112.67 52.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.95 -3.36 13.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 11.6 mt -99.68 -27.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.378 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 59.9 m -126.7 -7.3 6.2 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 422' ' ' CYS . 0.6 OUTLIER 61.37 43.11 10.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 111.092 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 137.54 51.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 30.0 mt -97.94 143.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.783 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 76.0 m-85 -131.73 119.15 16.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.726 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -59.0 158.8 23.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.774 2.316 . . . . 0.0 111.447 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -52.85 -33.37 49.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 111.298 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.3 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.63 17.91 23.05 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.96 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 7.6 ttpp -55.0 -43.93 74.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 109.723 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.13 -43.97 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.921 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mm -65.57 -37.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 1.624 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 10.5 t80 -63.32 -47.28 82.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.5 -36.76 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.55 -47.27 76.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.951 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.499 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.1 t -66.21 -32.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 442' ' ' PHE . 2.0 m-85 -64.94 -41.81 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.3 t -54.82 -29.71 55.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 9.1 m-70 -79.16 -21.54 46.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.23 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 t -97.91 -15.17 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.165 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.67 0.272 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 420' ' ' PHE . 72.6 m-85 -138.02 152.24 48.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 111.161 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -140.11 113.04 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 48.2 t -76.69 113.29 28.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.09 -1.21 11.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.324 2.016 . . . . 0.0 112.418 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.4 mt -99.51 -29.31 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.421 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -124.02 -8.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.769 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 62.91 40.11 9.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 0.0 OUTLIER -114.91 140.86 48.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.814 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 6.3 mt -97.93 147.19 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 89.9 m-85 -137.62 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.91 157.42 13.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.461 2.107 . . . . 0.0 112.189 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.13 54.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -21.75 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.544 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.28 16.38 11.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -54.91 -34.98 63.67 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.931 0.396 . . . . 0.0 110.392 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -64.38 -49.65 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.85 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 37.3 mt -67.78 -34.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.938 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.473 ' CE1' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -65.48 -46.24 80.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.02 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.61 -44.16 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.0 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.09 -36.82 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.951 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.47 -47.55 78.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -67.8 -32.85 58.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.88 0.372 . . . . 0.0 110.403 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -43.85 97.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.58 -30.96 55.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.12 -21.22 46.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -15.19 25.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.793 0.33 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.448 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 71.0 m-85 -138.01 152.77 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.18 116.37 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.899 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.85 112.9 38.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -77.26 -1.24 11.41 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.35 2.033 . . . . 0.0 112.473 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.04 -30.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.43 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 46.6 m -123.52 -9.91 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.805 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 t70 66.16 40.04 4.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.79 141.62 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mt -100.56 143.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 94.2 m-85 -134.83 125.51 17.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.77 157.68 57.61 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.155 . . . . 0.0 112.097 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.49 -33.02 52.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 49.3 p -72.49 -25.18 61.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.395 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.8 17.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.92 -33.77 62.46 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.981 0.42 . . . . 0.0 110.378 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 -49.8 70.14 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 27.4 mt -68.45 -33.9 62.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.867 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 13.6 t80 -64.96 -46.13 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.858 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -58.73 -44.15 90.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.855 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.09 -36.76 82.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.154 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.0 t60 -65.1 -47.56 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.479 HG23 ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -68.45 -32.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.726 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.59 -31.37 56.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.2 -21.92 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.6 m -95.81 -15.21 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.892 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 23.7 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 420' ' ' PHE . 67.3 m-85 -138.08 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.19 113.0 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.53 112.9 27.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -1.31 11.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.355 2.036 . . . . 0.0 112.435 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.73 -29.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -124.13 -7.74 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.794 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.6 38.9 11.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.989 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.0 140.46 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.02 142.77 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 80.9 m-85 -134.32 121.59 15.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.86 157.77 41.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.534 2.156 . . . . 0.0 112.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.31 -33.06 51.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.194 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -21.77 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.41 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.61 17.65 11.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.92 -37.76 66.8 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.94 0.4 . . . . 0.0 110.42 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -49.58 71.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.296 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.82 -34.0 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.492 ' CD1' ' CD2' ' A' ' 429' ' ' PHE . 10.8 t80 -65.81 -45.39 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.945 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.62 -44.26 89.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -36.88 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.959 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.453 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.7 t60 -64.08 -47.52 79.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.028 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.485 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.1 t -67.25 -33.0 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.449 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -63.15 -44.48 95.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.1 t -54.66 -29.54 52.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.05 -14.36 59.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.248 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 17.0 m -101.83 -15.18 16.99 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.85 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.446 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 72.8 m-85 -138.03 152.28 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.12 115.24 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.3 t -80.25 112.61 32.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.3 -3.39 13.75 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.569 2.18 . . . . 0.0 112.379 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.8 mt -98.24 -28.53 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -125.67 -8.22 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.846 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 62.38 43.18 8.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -113.91 145.76 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.31 140.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.177 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 82.7 m-85 -133.87 119.15 14.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 18.4 Cg_endo -60.67 157.6 36.55 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.36 2.04 . . . . 0.0 111.95 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.39 -24.19 11.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.55 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.2 t -81.78 -23.1 36.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.355 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . 0.433 ' HB2' ' HG2' ' A' ' 430' ' ' PRO . 6.1 tt0 -93.77 17.09 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.801 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -34.34 66.18 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.547 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -64.24 -49.72 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . 0.413 ' HB ' ' CG ' ' A' ' 433' ' ' GLU . 24.3 mt -68.63 -33.87 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.923 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.469 ' CE1' HG23 ' A' ' 441' ' ' VAL . 10.0 t80 -64.19 -47.2 80.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.844 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -44.17 88.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -66.64 -36.83 83.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.872 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.04 -47.45 80.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.7 t -67.21 -32.88 59.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.946 0.403 . . . . 0.0 110.391 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -43.44 97.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.7 -30.39 55.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.91 49.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 72.4 p -100.84 -15.14 17.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.24 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.488 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.14 152.59 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.03 112.93 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.98 112.98 31.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.87 -2.44 12.67 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.422 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.44 -30.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 48.2 m -122.99 -12.55 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.792 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.66 41.38 1.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.886 0.374 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -115.04 146.15 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.14 138.92 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 440' ' ' HIS . 79.1 m-85 -132.38 114.5 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.42 157.73 17.6 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.644 2.229 . . . . 0.0 112.164 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.23 53.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -24.33 61.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.233 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -92.29 16.05 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -54.88 -34.25 62.8 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.907 0.384 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.43 -49.75 70.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.11 -33.93 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.957 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.488 ' CD2' ' CG ' ' A' ' 420' ' ' PHE . 12.0 t80 -64.98 -46.08 82.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.989 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.69 -44.24 90.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.789 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.23 -36.69 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.088 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 429' ' ' PHE . 84.5 t60 -64.76 -47.75 77.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.049 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.1 t -67.81 -32.94 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.667 ' HD1' ' CD2' ' A' ' 442' ' ' PHE . 0.5 OUTLIER -62.83 -44.3 96.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -31.05 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' A' ' 425' ' ' CYS . 7.0 m-70 -79.08 -21.92 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.074 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.7 t -93.96 -15.16 25.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.96 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 437' ' ' PHE . 77.4 m-85 -131.25 152.44 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -140.18 116.64 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.69 112.96 41.55 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.52 -1.33 11.4 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.292 1.994 . . . . 0.0 112.473 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 -29.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.432 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 39.1 m -124.89 -8.11 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.865 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.49 44.43 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 2.8 tttt -115.09 143.76 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.17 138.94 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.434 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 84.7 m-85 -132.45 124.43 19.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.38 157.68 56.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.54 2.16 . . . . 0.0 112.146 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.77 30.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.457 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 55.1 p -79.36 -24.08 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . 0.404 ' CG ' ' HB ' ' A' ' 436' ' ' ILE . 49.8 tt0 -93.8 16.69 13.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.608 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 23.7 ttpt -56.77 -32.31 65.49 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -49.69 71.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.173 0.511 . . . . 0.0 109.976 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . 0.404 ' HB ' ' CG ' ' A' ' 433' ' ' GLU . 41.6 mt -68.44 -33.87 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.797 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.485 ' CE1' HG23 ' A' ' 441' ' ' VAL . 11.5 t80 -64.07 -47.2 81.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.899 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.58 -44.08 89.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.896 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.09 -36.71 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.879 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.18 -47.55 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.485 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -67.44 -32.94 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -44.58 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.76 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.69 -30.35 55.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.432 ' CE1' ' SG ' ' A' ' 425' ' ' CYS . 7.7 m-70 -79.15 -16.35 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.43 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 p -98.41 -15.21 19.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.913 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.601 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 42.4 m-85 -137.98 151.49 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.276 0.56 . . . . 0.0 112.334 -177.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.25 120.39 13.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.3 112.61 47.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.15 -3.83 14.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.626 2.217 . . . . 0.0 112.254 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.5 mt -95.53 -30.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 54.2 m -123.37 -10.61 7.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.788 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.08 38.25 3.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.786 0.327 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.08 136.86 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 420' ' ' PHE . 30.3 mt -97.94 140.93 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.455 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 86.6 m-85 -129.4 123.85 21.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.417 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.08 158.32 55.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.752 2.301 . . . . 0.0 111.661 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.37 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.106 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -25.42 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -95.7 18.01 13.85 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.634 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -56.75 -35.76 68.98 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.04 0.447 . . . . 0.0 110.254 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.27 -49.61 71.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.808 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.04 -33.81 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.916 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 9.2 t80 -65.04 -47.51 77.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.123 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.985 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -67.22 -36.7 82.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.017 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.455 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -63.84 -47.73 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.498 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.2 t -66.92 -32.87 59.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.406 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.49 -44.51 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.59 -30.37 54.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.414 ' CE1' ' SG ' ' A' ' 425' ' ' CYS . 8.2 m-70 -79.14 -23.68 43.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 m -97.61 -15.15 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 13.4 m-85 -126.3 158.09 36.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.42 0.629 . . . . 0.0 112.523 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -140.4 129.08 22.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.1 t -92.98 113.0 58.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.753 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.33 -0.76 10.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.348 2.032 . . . . 0.0 112.458 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 18.8 mt -101.46 -27.98 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 57.7 m -125.84 -6.25 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.825 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.15 42.3 12.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.386 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -115.12 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 35.8 mt -98.02 152.37 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.657 ' HD2' ' CD1' ' A' ' 429' ' ' PHE . 59.2 m-85 -138.07 122.1 11.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.39 159.0 17.16 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.827 2.351 . . . . 0.0 111.736 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.31 49.62 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.539 0.209 . . . . 0.0 111.529 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 2.7 t -75.59 -8.47 56.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.356 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.72 18.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -58.36 -42.99 88.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.134 0.492 . . . . 0.0 109.754 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.5 -49.21 72.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.998 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.57 -39.38 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 420' ' ' PHE . 12.8 t80 -61.88 -47.13 86.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.319 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.0 -42.6 85.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.159 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -36.97 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 109.839 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.8 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 437' ' ' PHE . 0.9 OUTLIER -66.37 -32.84 59.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.412 . . . . 0.0 110.092 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 442' ' ' PHE . 0.5 OUTLIER -63.3 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.73 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.56 -30.45 54.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.3 m-70 -79.25 -18.58 52.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.241 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 9.2 p -99.79 -15.17 18.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.327 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.835 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.451 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 77.5 m-85 -127.81 152.59 47.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.99 116.71 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.58 112.61 38.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.45 -4.61 15.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 0.0 112.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 39.2 mt -95.22 -29.64 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 55.9 m -124.15 -10.56 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.9 0.334 . . . . 0.0 111.9 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.09 42.97 3.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.957 0.408 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -115.06 146.47 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.56 140.36 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.65 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 86.7 m-85 -132.45 116.19 15.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.18 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.17 157.75 13.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.117 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.6 -33.14 53.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.161 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.7 p -73.91 -22.39 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.453 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 15.85 12.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.992 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -54.95 -35.97 64.81 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.917 0.389 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.21 -49.4 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.827 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 38.9 mt -67.19 -33.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.995 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.474 ' CE1' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -65.56 -47.02 77.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -44.01 89.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.92 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -36.86 83.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.954 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.413 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.13 -47.58 79.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.8 t -67.46 -32.96 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 0.0 110.414 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 442' ' ' PHE . 1.8 m-85 -63.75 -42.74 97.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.718 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.77 -30.18 56.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.983 0.421 . . . . 0.0 110.733 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.18 -23.19 44.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -15.19 25.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.171 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.862 0.363 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 420' ' ' PHE . 64.6 m-85 -138.07 151.17 47.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.09 113.02 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.753 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.47 112.95 27.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -1.69 11.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.433 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.47 -29.53 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.421 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 47.1 m -124.91 -8.32 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.775 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.44 35.64 9.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 140.17 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.04 145.77 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 0.48 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.08 115.27 9.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.88 157.54 12.77 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.514 2.143 . . . . 0.0 112.173 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.11 54.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.9 t -74.61 -22.68 58.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.574 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.99 16.27 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 18.3 tttt -55.16 -33.41 62.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.38 -49.79 70.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 110.006 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 5.3 mp -68.7 -33.86 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.848 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.48 ' CD1' ' CD2' ' A' ' 429' ' ' PHE . 9.9 t80 -64.63 -46.56 82.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.936 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.19 90.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.758 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.92 -36.63 82.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.037 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.457 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.58 78.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.479 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -67.14 -32.95 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.964 0.411 . . . . 0.0 110.504 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -42.94 97.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.597 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.64 -30.42 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.08 -23.39 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 24.8 m -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 0.465 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -130.02 150.35 51.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.13 114.16 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.66 112.99 36.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.97 -2.85 13.11 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.289 1.993 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.04 -30.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.186 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.42 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 44.2 m -124.18 -12.09 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.833 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.9 t0 67.43 41.8 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.56 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.32 138.12 50.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.03 139.82 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.648 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 84.3 m-85 -133.23 117.04 14.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.284 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.42 157.9 20.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.646 2.231 . . . . 0.0 112.012 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.23 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.223 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.9 p -72.47 -23.98 61.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.404 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.99 16.31 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -54.99 -34.7 63.61 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.977 0.417 . . . . 0.0 110.382 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.13 -49.7 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.37 -33.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.915 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 1.625 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 12.3 t80 -64.85 -46.95 79.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.07 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.71 -43.92 90.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -36.76 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.968 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.419 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -64.56 -47.61 78.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.013 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.483 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -68.11 -32.93 58.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.88 0.371 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.53 -43.62 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.808 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.72 -29.81 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.23 -20.91 47.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -15.02 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.195 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.675 0.274 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' PHE . . . . . 1.63 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 65.5 m-85 -138.05 153.24 49.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 111.285 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.21 112.95 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.61 112.64 28.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.43 -3.96 14.62 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.585 2.19 . . . . 0.0 112.217 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 16.0 mt -95.43 -30.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' CYS . . . . . 0.42 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 55.8 m -123.43 -10.91 7.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.835 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.51 36.25 3.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.65 139.06 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.02 139.1 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' PHE . . . . . 1.664 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 88.2 m-85 -131.7 120.79 17.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.75 157.88 49.56 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.501 2.134 . . . . 0.0 111.972 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.0 51.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.1 p -71.15 -26.05 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.217 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 15.88 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.701 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 19.0 tttm -54.87 -32.87 61.28 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.66 -49.81 69.54 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.747 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.94 -33.99 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.838 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' PHE . . . . . 0.477 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 12.1 t80 -64.43 -46.4 83.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.907 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -44.31 90.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -67.09 -36.77 82.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.473 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.3 t60 -64.63 -47.73 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.094 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.477 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.1 t -67.58 -32.9 58.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.53 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.33 -44.21 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -30.26 55.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.5 m-70 -79.12 -25.37 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.0 m -94.09 -15.21 24.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.651 0.262 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.93 -23.02 14.37 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 5.6 mt 61.51 151.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.8 160.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 6.7 tp -70.42 122.46 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.04 96.97 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 134.48 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 84.8 m -88.98 129.93 46.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.01 133.37 26.76 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.193 1.928 . . . . 0.0 112.033 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.4 mt -78.1 -42.93 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.81 147.95 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -34.22 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.41 69.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.34 -19.26 33.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.46 -27.61 16.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.225 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 10.3 tt -82.18 59.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 111.049 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.95 -179.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.762 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.92 92.01 8.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -27.55 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 m 64.21 114.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -30.94 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -70.89 -32.95 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.88 -31.26 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.12 46.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.1 ttp -154.07 118.45 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -112.46 106.72 55.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.77 161.58 21.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 0.0 112.258 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.69 -22.7 12.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 418' ' ' LEU . 25.7 p -156.1 164.72 38.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.683 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.02 152.06 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.19 112.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.0 t -76.56 112.89 24.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.42 -1.68 11.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.326 2.017 . . . . 0.0 112.346 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.4 -29.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 51.3 m -124.52 -8.13 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.871 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.62 41.65 7.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.06 139.93 49.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.46 141.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.651 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 92.3 m-85 -131.7 116.53 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.75 157.5 12.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.573 2.182 . . . . 0.0 112.27 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.64 -33.21 54.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.0 t -73.91 -22.35 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.437 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.05 18.06 9.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.845 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 13.5 tttt -54.8 -38.59 67.51 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -47.53 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.823 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mm -65.94 -35.4 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.695 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.481 ' CE1' HG23 ' A' ' 441' ' ' VAL . 13.9 t80 -65.62 -45.79 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.204 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.47 -44.02 89.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.95 -36.88 83.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.39 -47.49 76.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.6 t -67.75 -32.95 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.194 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.9 -43.23 99.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.6 -30.91 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.18 -16.85 55.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 8.0 m -102.06 -15.15 16.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.906 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.26 62.7 2.68 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 1.8 mt -113.11 -41.45 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 t 57.93 105.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.2 102.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -150.95 -78.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.77 115.55 26.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.5 m -113.93 132.43 22.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.03 133.44 26.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.146 1.897 . . . . 0.0 112.069 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.8 -62.55 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.74 -47.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.9 -30.12 50.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.91 -21.3 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.95 -23.04 31.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -78.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 6.6 tp -166.88 -43.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.992 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 33.0 m -64.21 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.99 128.23 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -34.68 58.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.01 123.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.97 -37.77 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.86 -31.73 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.6 -31.95 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -72.22 -38.21 69.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -118.3 102.27 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 21.5 ttm -130.02 116.63 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -140.72 144.14 34.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.83 156.4 43.66 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.472 2.114 . . . . 0.0 112.27 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.33 -21.51 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.413 ' N ' HD21 ' A' ' 418' ' ' LEU . 25.6 p -156.06 165.02 37.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.712 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.458 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -138.02 151.12 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 112.92 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.9 t -78.7 112.59 28.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -75.17 -4.66 15.69 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.594 2.196 . . . . 0.0 112.253 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.74 -30.93 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.338 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 47.0 m -122.94 -11.61 8.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.814 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 11.3 t70 67.62 39.12 2.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -114.97 140.82 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 147.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.2 m-85 -138.02 115.97 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 157.39 13.08 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.595 2.196 . . . . 0.0 112.202 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.18 54.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.321 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.9 p -74.32 -22.59 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.501 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.07 16.23 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 66.7 tttt -54.91 -34.2 62.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.96 0.409 . . . . 0.0 110.348 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.43 -49.73 70.37 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.09 -34.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 11.8 t80 -64.91 -45.9 83.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.917 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -58.7 -44.11 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -67.15 -36.71 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.004 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.452 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.53 -47.5 78.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.062 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -68.1 -34.7 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.934 0.397 . . . . 0.0 110.457 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.647 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.69 -31.45 57.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.17 -20.98 47.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 21.9 m -96.06 -15.17 22.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.366 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.872 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.676 0.274 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.73 -27.48 31.75 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.465 2.11 . . . . 0.0 112.39 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.63 157.29 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 33.3 m -153.55 -46.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 394' ' ' ILE . 0.0 OUTLIER -85.58 137.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.89 124.58 52.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -100.48 120.91 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.96 145.18 46.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.32 133.39 30.25 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.278 1.985 . . . . 0.0 112.01 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.418 ' HA ' ' CE1' ' A' ' 408' ' ' HIS . 20.6 mt 64.48 97.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.2 m -168.65 160.67 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -31.42 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.19 -27.92 65.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.51 11.18 22.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 62.4 119.49 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 1.5 pp -98.31 31.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 33.5 t -68.89 -67.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.84 90.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 399' ' ' ILE . 0.3 OUTLIER -86.58 -30.13 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.7 m 61.82 105.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -36.32 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.28 -36.15 81.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -31.57 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -47.05 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.2 122.11 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.8 ttt -159.35 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -170.97 73.82 0.54 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.54 162.06 43.81 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.571 2.18 . . . . 0.0 112.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.491 ' O ' ' CA ' ' A' ' 431' ' ' ALA . 0.6 OUTLIER -97.62 -5.05 36.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.53 157.81 40.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.06 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.673 ' HE1' ' CE2' ' A' ' 420' ' ' PHE . 21.9 m-85 -129.69 158.41 39.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.294 0.569 . . . . 0.0 112.109 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.88 127.51 21.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.989 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.35 113.01 60.7 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -0.36 10.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.339 2.026 . . . . 0.0 112.517 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.39 -27.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.14 -8.36 7.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.761 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.26 42.15 15.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 143.02 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.97 149.03 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.407 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 69.6 m-85 -135.43 124.68 16.2 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.28 158.47 30.77 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.998 2.465 . . . . 0.0 111.911 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.491 ' CA ' ' O ' ' A' ' 418' ' ' LEU . . . -53.23 -33.36 52.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -6.68 53.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.479 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -105.91 18.18 22.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.074 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.416 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 36.0 tttt -60.86 -41.12 95.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.115 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.22 -49.44 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.046 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.6 mp -65.56 -33.9 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.969 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 12.3 t80 -63.83 -47.25 81.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.897 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.24 -43.34 87.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.846 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.98 -36.84 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.808 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.97 -47.11 81.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.4 t -66.65 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.254 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.583 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.77 -29.83 55.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.9 m-70 -79.06 -25.97 43.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 42.8 m -92.53 -15.12 27.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.597 0.237 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.13 -26.17 42.9 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.443 2.095 . . . . 0.0 112.249 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.16 -46.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.421 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 42.2 t -178.0 121.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 6.5 tt -90.33 54.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.27 17.11 9.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.297 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 124.71 48.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.1 m -101.8 122.94 45.68 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.11 133.49 26.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.182 1.922 . . . . 0.0 112.043 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 18.9 tt -175.97 -40.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.7 m -158.06 -45.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -29.12 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -36.18 70.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.32 -23.14 21.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.73 -176.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.2 mt 59.74 34.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.24 168.23 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -126.19 117.44 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 412' ' ' GLN . 0.0 OUTLIER -85.4 -40.88 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 5.2 p 57.65 170.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -25.97 68.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.07 -39.78 75.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.047 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . 0.414 ' HB3' ' CE1' ' A' ' 408' ' ' HIS . 8.6 mm-40 -69.53 -35.14 75.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.73 -40.38 55.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -75.52 153.93 37.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -175.41 146.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -99.56 108.29 49.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.82 151.6 76.0 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.183 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.26 -22.69 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.421 ' N ' HD21 ' A' ' 418' ' ' LEU . 28.0 p -156.04 164.28 38.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.624 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.449 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.9 m-85 -137.05 151.64 49.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.04 112.92 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.2 112.83 28.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.2 -2.48 12.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.396 2.064 . . . . 0.0 112.409 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 15.8 mt -96.04 -30.38 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 39.6 m -124.0 -10.77 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.783 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.5 40.38 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.52 140.77 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.94 146.35 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.649 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 83.9 m-85 -138.04 116.29 9.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.89 157.46 12.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.631 2.221 . . . . 0.0 112.271 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.67 -33.3 54.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 4.1 t -74.87 -21.79 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -91.69 16.29 10.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -54.92 -35.56 64.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.41 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.32 -49.69 70.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.8 mt -67.41 -34.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 11.6 t80 -65.8 -45.64 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.988 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.71 -44.06 90.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.881 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -67.04 -36.85 82.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.076 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.47 -47.48 78.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.027 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -68.2 -32.94 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -43.53 98.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.615 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.65 -31.04 56.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.07 -19.71 50.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 33.2 p -97.85 -15.1 20.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.895 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' SER . . . . . 0.413 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 1.5 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.613 0.244 . . . . 0.0 111.593 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 390' ' ' SER . 71.7 Cg_endo -77.38 59.31 6.62 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.464 2.109 . . . . 0.0 112.371 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.07 172.96 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -93.91 -31.41 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 10.8 pt -90.42 146.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.93 31.55 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -117.16 128.87 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 24.2 t -126.93 128.04 24.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 133.43 53.12 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.126 1.884 . . . . 0.0 112.144 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 7.8 pt -142.39 78.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.35 129.67 53.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -63.52 -31.93 73.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.32 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.66 -23.09 20.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.66 147.18 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.3 tt -109.25 -25.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 173.85 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.3 120.8 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -36.06 75.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.81 115.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -31.25 71.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.75 -43.02 85.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.8 -31.15 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.17 -45.01 86.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -85.0 163.34 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.53 119.84 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.33 94.9 1.73 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.74 144.59 60.15 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.438 2.092 . . . . 0.0 112.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.74 -21.64 13.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.415 ' N ' HD21 ' A' ' 418' ' ' LEU . 30.5 p -152.91 164.41 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.626 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.624 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 68.2 m-85 -138.01 151.62 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.1 112.89 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.756 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 112.69 26.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.68 -3.74 14.35 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.549 2.166 . . . . 0.0 112.167 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.82 -29.72 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.347 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 40.3 m -125.19 -7.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.68 36.1 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -108.58 137.52 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -97.93 138.83 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 78.3 m-85 -131.31 123.81 19.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.36 157.7 53.03 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.582 2.188 . . . . 0.0 112.028 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.99 51.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 5.9 t -71.98 -25.77 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.73 17.01 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -54.84 -33.85 62.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.97 0.414 . . . . 0.0 110.3 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -64.45 -49.68 70.51 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.807 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.22 -34.4 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.935 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 10.4 t80 -64.89 -45.7 84.82 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.74 -44.16 90.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.814 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.09 -36.78 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.011 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.444 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.01 -47.58 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.48 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -67.58 -32.84 58.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.403 . . . . 0.0 110.445 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.608 ' HD2' ' CD1' ' A' ' 442' ' ' PHE . 1.1 m-85 -62.83 -43.73 98.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.681 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.66 -31.2 57.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.05 -19.99 50.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 2.5 m -97.83 -15.21 20.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.737 0.303 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.99 -27.54 25.23 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 2.0 mt -166.31 175.75 8.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 53.0 p -153.47 144.78 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.29 136.6 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -104.72 -176.91 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -95.96 133.21 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 59.7 m -103.35 142.09 23.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.02 133.36 26.71 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.294 1.996 . . . . 0.0 112.065 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 408' ' ' HIS . 1.6 pt -115.14 69.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.91 137.21 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -78.05 -28.58 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -65.66 -28.2 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.219 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -23.11 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.17 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.68 178.78 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.9 29.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 28.0 p -136.45 -175.35 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.19 124.62 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' A' ' 399' ' ' ILE . 17.9 m80 -78.27 -21.75 49.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 3.0 p 62.91 140.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.26 -27.43 69.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.0 -44.81 83.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -72.07 -31.07 65.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.76 78.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.35 163.52 14.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.6 ttp -141.4 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 59.94 88.81 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.78 155.95 46.05 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.575 2.183 . . . . 0.0 112.39 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.76 -22.51 12.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.033 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.426 ' N ' HD21 ' A' ' 418' ' ' LEU . 30.3 p -145.94 163.81 33.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.463 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 66.4 m-85 -137.98 151.57 48.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.06 112.99 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.742 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.62 113.11 26.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.96 -1.46 11.63 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.325 2.017 . . . . 0.0 112.281 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.61 -29.82 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.3 m -123.88 -8.31 7.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.712 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.66 40.36 7.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -114.99 142.16 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.2 mt -99.12 146.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.4 m-85 -138.07 115.23 9.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 157.31 13.16 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.431 2.087 . . . . 0.0 112.227 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.33 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.313 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -23.14 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.56 16.5 11.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -32.99 62.16 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.93 0.395 . . . . 0.0 110.431 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.42 -49.77 70.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.883 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mp -68.45 -34.06 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.481 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 10.9 t80 -64.57 -46.65 81.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.973 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.82 -44.03 90.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -67.12 -36.75 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.8 t60 -64.52 -47.67 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -67.33 -32.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 110.384 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.622 ' HD1' ' CD2' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -63.32 -43.74 96.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.764 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.69 -30.34 55.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.6 m-70 -79.2 -20.22 48.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 -15.15 18.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.248 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.31 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.585 2.19 . . . . 0.0 112.674 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 3.8 mp -54.92 -31.47 60.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.73 129.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.88 92.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -33.79 66.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.5 130.37 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.57 135.31 20.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.32 133.47 43.51 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.16 1.907 . . . . 0.0 112.048 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 399' ' ' ILE . 0.0 OUTLIER -74.94 -33.6 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.5 m -162.98 96.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.39 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.76 11.04 21.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.9 t0 57.53 -179.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -121.9 112.39 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.89 -67.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -128.91 114.18 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.52 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.9 p 62.24 142.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 14.3 tp -65.07 -28.42 69.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.26 -43.01 82.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.037 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -66.62 -31.45 72.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -68.51 -46.83 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -80.05 91.52 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 49.6 tpp -164.22 56.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 110.3 52.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.83 146.98 96.65 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.466 2.111 . . . . 0.0 112.239 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.58 -25.62 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.441 ' N ' HD21 ' A' ' 418' ' ' LEU . 57.6 m -151.64 166.97 29.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.624 ' HD2' ' CD1' ' A' ' 420' ' ' PHE . 73.2 m-85 -138.09 154.59 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.19 113.55 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.816 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.65 112.99 28.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.84 -1.22 11.35 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.457 2.105 . . . . 0.0 112.411 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.03 -30.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 44.5 m -122.86 -10.0 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.744 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 15.5 t70 67.0 37.14 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.812 0.339 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -109.51 146.65 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.89 143.29 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.45 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.5 m-85 -136.64 123.84 14.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.23 157.73 56.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.487 2.125 . . . . 0.0 112.032 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.12 43.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.269 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -25.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.469 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -93.14 16.91 11.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -33.16 61.81 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.293 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.45 -49.71 70.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.835 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.4 mt -68.46 -34.75 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.936 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.474 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 9.8 t80 -64.25 -46.42 83.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.854 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -44.09 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.824 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.91 -36.7 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.961 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.474 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -67.09 -32.84 59.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -43.27 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.67 -30.5 55.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.792 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.78 50.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 63.1 p -96.5 -15.15 21.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.308 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.844 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.674 0.273 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 90.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.646 2.231 . . . . 0.0 112.18 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.03 167.84 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 93.4 p -60.2 -174.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.3 pt -99.23 32.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -153.16 112.27 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.88 133.35 48.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.58 132.67 21.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.058 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.99 133.54 27.24 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.199 1.933 . . . . 0.0 111.956 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 1.3 pp -82.59 56.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.074 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 36.8 t -86.13 117.53 25.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -31.38 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.74 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.17 4.41 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.412 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.95 -177.36 3.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.65 -63.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 12.0 t -175.53 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 98.67 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.07 -36.04 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 m 63.07 121.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -31.15 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -37.59 78.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -69.02 -32.21 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -71.67 -34.46 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.06 175.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.5 tpp -77.62 131.12 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 417' ' ' PRO . 13.8 mt-30 -67.5 137.85 93.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 416' ' ' GLN . 35.1 Cg_exo -60.8 142.76 98.61 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.387 2.058 . . . . 0.0 112.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 431' ' ' ALA . 3.7 mp -77.64 -5.4 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.691 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.1 p -129.25 157.47 41.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.66 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 58.4 m-85 -137.4 153.3 50.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 0.0 111.848 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.11 124.94 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 426' ' ' ASP . 44.9 t -89.01 112.67 52.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.95 -3.36 13.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 11.6 mt -99.68 -27.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.378 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 59.9 m -126.7 -7.3 6.2 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 422' ' ' CYS . 0.6 OUTLIER 61.37 43.11 10.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 111.092 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 137.54 51.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 30.0 mt -97.94 143.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.783 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 76.0 m-85 -131.73 119.15 16.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.726 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -59.0 158.8 23.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.774 2.316 . . . . 0.0 111.447 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 418' ' ' LEU . . . -52.85 -33.37 49.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.3 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.63 17.91 23.05 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.96 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 7.6 ttpp -55.0 -43.93 74.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 109.723 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.13 -43.97 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.921 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mm -65.57 -37.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 1.624 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 10.5 t80 -63.32 -47.28 82.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.5 -36.76 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.55 -47.27 76.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.951 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.499 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.1 t -66.21 -32.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 442' ' ' PHE . 2.0 m-85 -64.94 -41.81 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.3 t -54.82 -29.71 55.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 9.1 m-70 -79.16 -21.54 46.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.23 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 t -97.91 -15.17 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.165 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.745 0.307 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 97.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.601 2.201 . . . . 0.0 112.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 7.6 tt -79.34 148.48 32.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.93 155.56 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.81 -32.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 140.89 50.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 127.04 52.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 123.11 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.34 133.49 56.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.095 1.863 . . . . 0.0 112.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.13 -52.16 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 42.6 t -111.78 -34.16 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -59.29 -30.4 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.38 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.229 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.96 -23.1 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -177.62 175.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 3.7 pt -82.82 76.36 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.31 162.8 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.06 117.28 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.11 -31.47 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.65 128.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.61 -38.63 81.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -31.54 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -33.03 72.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -137.71 68.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 6.3 ttm -70.71 172.0 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -59.43 136.66 89.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.64 144.0 31.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.592 2.195 . . . . 0.0 112.395 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.68 -21.45 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.413 ' N ' HD21 ' A' ' 418' ' ' LEU . 27.7 p -154.92 165.02 38.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 420' ' ' PHE . 72.6 m-85 -138.02 152.24 48.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 111.161 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -140.11 113.04 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 48.2 t -76.69 113.29 28.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.09 -1.21 11.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.324 2.016 . . . . 0.0 112.418 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.4 mt -99.51 -29.31 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.02 -8.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.769 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 62.91 40.11 9.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 0.0 OUTLIER -114.91 140.86 48.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.814 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 6.3 mt -97.93 147.19 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 89.9 m-85 -137.62 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.91 157.42 13.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.461 2.107 . . . . 0.0 112.189 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.13 54.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -21.75 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.544 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.28 16.38 11.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -54.91 -34.98 63.67 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.931 0.396 . . . . 0.0 110.392 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -64.38 -49.65 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.85 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 37.3 mt -67.78 -34.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.938 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.473 ' CE1' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -65.48 -46.24 80.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.02 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.61 -44.16 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.0 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.09 -36.82 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.951 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.47 -47.55 78.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -67.8 -32.85 58.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.88 0.372 . . . . 0.0 110.403 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -43.85 97.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.58 -30.96 55.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.12 -21.22 46.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -15.19 25.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.704 0.287 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.87 123.26 8.81 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.288 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 6.0 mp -92.68 153.71 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 167.58 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 14.9 tt -77.36 158.75 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.06 40.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 126.0 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.35 138.04 28.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.77 133.39 29.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.284 1.989 . . . . 0.0 112.036 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.413 HG22 ' CE1' ' A' ' 408' ' ' HIS . 17.8 tt -108.27 -31.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.55 39.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.0 57.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -75.67 -30.55 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.92 -23.1 14.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -134.7 172.7 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 1.1 tp -174.52 -40.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -62.96 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.51 97.3 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . 0.413 ' CE1' HG22 ' A' ' 399' ' ' ILE . 14.0 t-80 -87.09 -30.95 20.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.28 96.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.26 -33.38 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.47 -33.52 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -65.99 -35.04 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.94 -42.58 23.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.006 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.83 170.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.6 tpp -118.32 99.59 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.53 163.48 24.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 420' ' ' PHE . 37.3 Cg_exo -60.78 145.75 98.47 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.09 -20.28 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.4 p -155.87 164.13 38.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.667 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.448 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 71.0 m-85 -138.01 152.77 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.18 116.37 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.899 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.85 112.9 38.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -77.26 -1.24 11.41 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.35 2.033 . . . . 0.0 112.473 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.04 -30.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 46.6 m -123.52 -9.91 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.805 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 t70 66.16 40.04 4.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.79 141.62 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mt -100.56 143.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 94.2 m-85 -134.83 125.51 17.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.77 157.68 57.61 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.155 . . . . 0.0 112.097 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.49 -33.02 52.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 49.3 p -72.49 -25.18 61.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.395 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.8 17.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.92 -33.77 62.46 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.981 0.42 . . . . 0.0 110.378 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 -49.8 70.14 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 27.4 mt -68.45 -33.9 62.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.867 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 13.6 t80 -64.96 -46.13 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.858 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -58.73 -44.15 90.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.855 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.09 -36.76 82.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.154 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.0 t60 -65.1 -47.56 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.479 HG23 ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -68.45 -32.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.726 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.59 -31.37 56.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.2 -21.92 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.6 m -95.81 -15.21 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.892 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.636 0.255 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -51.64 109.63 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.606 2.204 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 2.3 mt -118.53 -72.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.6 88.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 5.8 tt -166.06 51.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.75 126.51 54.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -90.18 106.67 18.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.26 134.34 19.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.07 133.34 26.58 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.222 1.948 . . . . 0.0 112.1 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 4.7 tp -141.96 74.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.02 113.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -33.67 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -79.57 -33.22 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.0 11.1 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.35 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.62 149.85 42.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 6.8 tp -171.69 145.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.039 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 18.4 m -57.56 -50.7 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.03 101.62 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -74.62 -31.31 61.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.2 143.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.97 -27.99 69.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -41.54 98.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.18 -34.65 76.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.65 -44.62 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 63.0 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.9 ptt? 178.21 81.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.35 133.78 7.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.01 146.64 25.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 112.358 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.71 -23.02 12.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.999 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.425 ' N ' HD21 ' A' ' 418' ' ' LEU . 23.7 p -156.16 166.46 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.749 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 420' ' ' PHE . 67.3 m-85 -138.08 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.19 113.0 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.53 112.9 27.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -1.31 11.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.355 2.036 . . . . 0.0 112.435 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.73 -29.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.13 -7.74 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.794 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.6 38.9 11.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.989 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.0 140.46 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.02 142.77 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 80.9 m-85 -134.32 121.59 15.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.86 157.77 41.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.534 2.156 . . . . 0.0 112.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.31 -33.06 51.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.194 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -21.77 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.41 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.61 17.65 11.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.92 -37.76 66.8 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.94 0.4 . . . . 0.0 110.42 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -49.58 71.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.296 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.82 -34.0 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.492 ' CD1' ' CD2' ' A' ' 429' ' ' PHE . 10.8 t80 -65.81 -45.39 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.945 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.62 -44.26 89.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -36.88 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.959 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.453 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.7 t60 -64.08 -47.52 79.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.028 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.485 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.1 t -67.25 -33.0 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.449 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' A' ' 442' ' ' PHE . 0.7 OUTLIER -63.15 -44.48 95.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.1 t -54.66 -29.54 52.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.05 -14.36 59.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.248 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 17.0 m -101.83 -15.18 16.99 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.85 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' SER . . . . . 0.414 ' N ' ' CD ' ' A' ' 391' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 390' ' ' SER . 90.6 Cg_endo -84.26 10.86 3.54 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.709 2.272 . . . . 0.0 112.918 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.61 -31.32 66.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.808 0.337 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.82 117.26 17.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.22 49.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.78 7.48 6.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.219 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -118.04 113.85 22.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 8.8 t -106.15 133.01 20.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.79 133.33 27.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.217 1.944 . . . . 0.0 112.014 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.6 mt -78.97 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.87 107.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -60.25 -25.83 65.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.04 -23.11 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.247 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.92 11.07 21.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.98 -168.11 0.35 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.776 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 24.6 mm 69.4 -67.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -176.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.2 117.93 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -26.01 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 82.5 p 50.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.83 -30.55 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.21 -48.08 82.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.66 -32.65 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -36.08 68.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -78.96 167.0 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -146.92 90.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.52 100.64 8.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.21 146.83 71.16 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.362 2.041 . . . . 0.0 112.287 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.03 -23.94 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.437 ' N ' HD21 ' A' ' 418' ' ' LEU . 26.0 p -156.1 165.38 36.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.446 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 72.8 m-85 -138.03 152.28 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.12 115.24 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.3 t -80.25 112.61 32.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.3 -3.39 13.75 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.569 2.18 . . . . 0.0 112.379 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.8 mt -98.24 -28.53 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -125.67 -8.22 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.846 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 62.38 43.18 8.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -113.91 145.76 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.31 140.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.177 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 82.7 m-85 -133.87 119.15 14.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 18.4 Cg_endo -60.67 157.6 36.55 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.36 2.04 . . . . 0.0 111.95 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.39 -24.19 11.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.55 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.2 t -81.78 -23.1 36.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.355 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . 0.433 ' HB2' ' HG2' ' A' ' 430' ' ' PRO . 6.1 tt0 -93.77 17.09 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.801 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -34.34 66.18 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.547 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -64.24 -49.72 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . 0.413 ' HB ' ' CG ' ' A' ' 433' ' ' GLU . 24.3 mt -68.63 -33.87 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.923 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.469 ' CE1' HG23 ' A' ' 441' ' ' VAL . 10.0 t80 -64.19 -47.2 80.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.844 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -44.17 88.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -66.64 -36.83 83.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.872 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.04 -47.45 80.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.7 t -67.21 -32.88 59.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.946 0.403 . . . . 0.0 110.391 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -43.44 97.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.7 -30.39 55.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.91 49.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 72.4 p -100.84 -15.14 17.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.24 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.3 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.26 -27.87 13.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.559 2.173 . . . . 0.0 112.44 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.68 132.0 28.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.22 130.45 42.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -162.62 136.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.45 -179.21 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -95.4 118.12 31.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 146.48 31.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.92 133.57 46.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.431 2.087 . . . . 0.0 112.192 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.9 pt -105.46 30.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 61.4 m -98.36 -65.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -78.34 -30.38 48.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.29 68.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.41 11.08 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.3 -173.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.3 pt -124.43 90.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 51.0 t -144.67 -70.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -130.55 90.08 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.67 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.1 m 62.66 106.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.52 -33.63 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.05 -33.09 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -72.11 -31.17 65.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.76 -47.12 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.0 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -81.78 82.72 7.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -177.17 6.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.2 109.24 1.75 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.95 162.01 20.36 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.627 2.218 . . . . 0.0 112.29 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.41 -26.43 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.435 ' N ' HD21 ' A' ' 418' ' ' LEU . 40.6 m -152.23 167.77 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.559 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.488 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.14 152.59 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.03 112.93 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.98 112.98 31.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.87 -2.44 12.67 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.422 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.44 -30.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 48.2 m -122.99 -12.55 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.792 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.66 41.38 1.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.886 0.374 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -115.04 146.15 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.14 138.92 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 440' ' ' HIS . 79.1 m-85 -132.38 114.5 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.42 157.73 17.6 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.644 2.229 . . . . 0.0 112.164 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.23 53.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -24.33 61.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.233 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -92.29 16.05 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -54.88 -34.25 62.8 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.907 0.384 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.43 -49.75 70.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.11 -33.93 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.957 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.488 ' CD2' ' CG ' ' A' ' 420' ' ' PHE . 12.0 t80 -64.98 -46.08 82.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.989 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.69 -44.24 90.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.789 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.23 -36.69 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.088 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 429' ' ' PHE . 84.5 t60 -64.76 -47.75 77.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.049 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.1 t -67.81 -32.94 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.667 ' HD1' ' CD2' ' A' ' 442' ' ' PHE . 0.5 OUTLIER -62.83 -44.3 96.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -31.05 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.421 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.08 -21.92 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.074 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.7 t -93.96 -15.16 25.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.96 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.763 0.316 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.36 127.69 13.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.594 2.196 . . . . 0.0 112.381 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 8.1 tp -82.49 -30.98 29.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.73 -171.06 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.3 pp -102.93 154.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 -35.2 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -83.05 131.5 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 146.27 34.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.08 133.36 32.97 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.236 1.957 . . . . 0.0 112.041 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 23.6 mt -150.29 82.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 12.9 t -153.99 -62.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -64.15 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -74.1 -32.55 63.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -106.84 8.4 30.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.403 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.33 -168.31 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.4 pt -61.64 87.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.36 -175.97 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.48 109.09 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -84.04 -37.88 21.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.07 93.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.06 -34.17 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.11 -42.37 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.05 -30.87 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -31.83 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.58 126.58 51.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.5 ttt -109.8 168.49 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -110.25 108.61 58.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.7 141.59 95.44 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.437 2.091 . . . . 0.0 112.246 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -77.77 -6.39 53.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.518 -179.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 p -130.09 160.85 32.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 437' ' ' PHE . 77.4 m-85 -131.25 152.44 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -140.18 116.64 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.69 112.96 41.55 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.52 -1.33 11.4 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.292 1.994 . . . . 0.0 112.473 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 -29.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 39.1 m -124.89 -8.11 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.865 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.49 44.43 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 2.8 tttt -115.09 143.76 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.17 138.94 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.434 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 84.7 m-85 -132.45 124.43 19.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.38 157.68 56.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.54 2.16 . . . . 0.0 112.146 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.77 30.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.457 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 55.1 p -79.36 -24.08 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . 0.404 ' CG ' ' HB ' ' A' ' 436' ' ' ILE . 49.8 tt0 -93.8 16.69 13.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.608 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 23.7 ttpt -56.77 -32.31 65.49 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -49.69 71.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.173 0.511 . . . . 0.0 109.976 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . 0.404 ' HB ' ' CG ' ' A' ' 433' ' ' GLU . 41.6 mt -68.44 -33.87 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.797 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.485 ' CE1' HG23 ' A' ' 441' ' ' VAL . 11.5 t80 -64.07 -47.2 81.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.899 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.58 -44.08 89.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.896 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.09 -36.71 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.879 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.18 -47.55 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.485 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -67.44 -32.94 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -44.58 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.76 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.69 -30.35 55.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.421 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.15 -16.35 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.43 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 p -98.41 -15.21 19.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.913 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 391' ' ' PRO . 1.3 m . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.592 0.234 . . . . 0.0 111.575 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 390' ' ' SER . 61.4 Cg_endo -73.41 110.1 2.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -173.91 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.3 m -111.56 104.81 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.85 96.85 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.32 163.28 35.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -95.52 112.78 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.1 m -92.93 141.77 24.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.21 133.44 52.58 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.318 2.012 . . . . 0.0 112.221 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.9 mm -100.9 -64.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.95 -61.24 0.49 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.97 -25.97 3.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.48 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.91 69.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.79 11.13 39.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -129.39 -45.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.05 179.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 57.7 m -101.3 -39.41 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -73.89 95.42 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -83.81 -30.28 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.93 111.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.15 -33.17 74.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.32 -40.38 90.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -73.81 -30.5 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -84.74 -74.6 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.9 tpp -65.41 146.04 55.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 141.99 96.72 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.86 139.87 20.02 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.436 2.091 . . . . 0.0 112.6 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 431' ' ' ALA . 2.5 mp -88.59 -4.85 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.671 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.46 157.59 40.69 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.601 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 42.4 m-85 -137.98 151.49 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.276 0.56 . . . . 0.0 112.334 -177.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.25 120.39 13.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.3 112.61 47.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.15 -3.83 14.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.626 2.217 . . . . 0.0 112.254 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.5 mt -95.53 -30.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 54.2 m -123.37 -10.61 7.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.788 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.08 38.25 3.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.786 0.327 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.08 136.86 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 420' ' ' PHE . 30.3 mt -97.94 140.93 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.455 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 86.6 m-85 -129.4 123.85 21.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.417 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.08 158.32 55.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.752 2.301 . . . . 0.0 111.661 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 418' ' ' LEU . . . -53.12 -33.37 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.106 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -25.42 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -95.7 18.01 13.85 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.634 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -56.75 -35.76 68.98 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.04 0.447 . . . . 0.0 110.254 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.27 -49.61 71.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.808 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.9 mt -68.04 -33.81 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.916 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 9.2 t80 -65.04 -47.51 77.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.123 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.985 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -67.22 -36.7 82.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.017 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.455 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -63.84 -47.73 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.498 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.2 t -66.92 -32.87 59.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.406 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.49 -44.51 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.59 -30.37 54.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -79.14 -23.68 43.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 m -97.61 -15.15 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.637 0.256 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 108.13 2.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.518 2.146 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.5 175.1 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.31 177.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.37 116.98 53.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -133.06 12.28 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.15 121.05 39.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.91 142.36 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.5 133.32 27.66 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.198 1.932 . . . . 0.0 111.956 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 9.2 mt -87.13 -70.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.69 58.65 4.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -82.04 -34.66 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -74.38 -31.03 62.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -23.16 31.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -152.67 133.2 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.77 -32.5 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 98.6 m -78.82 -73.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -106.73 142.83 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.36 -36.02 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.9 t 43.32 87.48 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.42 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -30.04 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.93 -30.96 64.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.024 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -38.18 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.02 -31.8 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -74.38 -49.27 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 3.2 ttt -157.46 157.41 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.14 149.28 82.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.56 162.11 43.63 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.58 2.186 . . . . 0.0 112.284 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 431' ' ' ALA . 0.9 OUTLIER -93.0 -4.72 52.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.66 157.87 39.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 13.4 m-85 -126.3 158.09 36.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.42 0.629 . . . . 0.0 112.523 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -140.4 129.08 22.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.1 t -92.98 113.0 58.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.753 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.33 -0.76 10.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.348 2.032 . . . . 0.0 112.458 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 18.8 mt -101.46 -27.98 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 57.7 m -125.84 -6.25 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.15 42.3 12.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.386 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -115.12 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 35.8 mt -98.02 152.37 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.657 ' HD2' ' CD1' ' A' ' 429' ' ' PHE . 59.2 m-85 -138.07 122.1 11.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.39 159.0 17.16 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.827 2.351 . . . . 0.0 111.736 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 418' ' ' LEU . . . -52.89 -33.31 49.62 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.539 0.209 . . . . 0.0 111.529 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 2.7 t -75.59 -8.47 56.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.356 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.72 18.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -58.36 -42.99 88.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.134 0.492 . . . . 0.0 109.754 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.5 -49.21 72.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.998 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.57 -39.38 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 420' ' ' PHE . 12.8 t80 -61.88 -47.13 86.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.319 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.0 -42.6 85.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.159 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -36.97 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 109.839 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.8 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 437' ' ' PHE . 0.9 OUTLIER -66.37 -32.84 59.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.412 . . . . 0.0 110.092 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 442' ' ' PHE . 0.5 OUTLIER -63.3 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.73 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.56 -30.45 54.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.3 m-70 -79.25 -18.58 52.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.241 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 9.2 p -99.79 -15.17 18.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.327 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.835 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.619 0.247 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -74.67 -28.44 9.81 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.551 2.167 . . . . 0.0 112.427 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.13 161.37 24.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 5.7 t -148.45 23.19 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 27.7 mm 53.61 97.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.314 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -172.43 50.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 134.38 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.99 142.77 32.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.42 133.61 53.92 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.27 1.98 . . . . 0.0 112.18 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.1 mt 62.71 93.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.83 81.3 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -31.59 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -65.61 -30.62 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -23.12 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.18 136.71 35.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 30.7 mt -109.51 -31.26 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 27.5 p -75.91 -175.48 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.73 118.46 20.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -27.99 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.8 140.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -26.04 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.86 -38.92 73.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -30.67 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -74.76 -45.83 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.16 124.37 19.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.28 -169.4 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 75.92 9.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.97 143.2 36.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.589 2.193 . . . . 0.0 112.136 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -77.65 -5.85 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.57 -179.663 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.7 p -130.0 157.9 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 110.731 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.451 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 77.5 m-85 -127.81 152.59 47.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.99 116.71 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.58 112.61 38.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.45 -4.61 15.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 0.0 112.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 39.2 mt -95.22 -29.64 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.15 -10.56 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.9 0.334 . . . . 0.0 111.9 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.09 42.97 3.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.957 0.408 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -115.06 146.47 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.56 140.36 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.65 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 86.7 m-85 -132.45 116.19 15.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.18 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.17 157.75 13.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.117 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.6 -33.14 53.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.161 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.7 p -73.91 -22.39 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.453 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.07 15.85 12.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.992 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -54.95 -35.97 64.81 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.917 0.389 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.21 -49.4 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.827 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 38.9 mt -67.19 -33.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.995 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.474 ' CE1' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -65.56 -47.02 77.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -44.01 89.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.92 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -36.86 83.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.954 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.413 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.13 -47.58 79.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.8 t -67.46 -32.96 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 0.0 110.414 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 442' ' ' PHE . 1.8 m-85 -63.75 -42.74 97.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.718 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.77 -30.18 56.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.983 0.421 . . . . 0.0 110.733 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.18 -23.19 44.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -15.19 25.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.171 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.85 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.722 0.296 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.99 121.36 8.08 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.532 2.155 . . . . 0.0 112.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.86 155.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 23.6 p -115.52 179.29 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.5 tt -78.36 122.27 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -157.83 -73.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -117.9 104.21 10.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.03 122.87 31.73 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.04 133.41 26.82 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.254 1.969 . . . . 0.0 112.074 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 25.0 mt -86.17 -64.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.0 -2.04 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -62.81 -29.53 70.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.83 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.39 -23.06 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.09 135.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 12.1 mt -67.47 -69.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.2 t 56.6 171.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.18 98.01 7.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.23 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.1 m 62.94 146.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.99 -31.57 72.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.12 -47.15 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.6 -29.78 69.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.35 -46.05 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -123.2 107.34 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.36 -3.46 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.467 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 58.93 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.645 0.259 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.88 141.67 95.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.582 2.188 . . . . 0.0 112.194 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.03 -22.03 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.415 ' N ' HD21 ' A' ' 418' ' ' LEU . 24.4 p -156.15 165.57 36.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.81 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 420' ' ' PHE . 64.6 m-85 -138.07 151.17 47.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.09 113.02 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.753 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.47 112.95 27.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -1.69 11.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.433 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.47 -29.53 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 47.1 m -124.91 -8.32 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.44 35.64 9.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 140.17 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -98.04 145.77 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 0.48 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.08 115.27 9.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.88 157.54 12.77 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.514 2.143 . . . . 0.0 112.173 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.11 54.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.9 t -74.61 -22.68 58.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.574 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.99 16.27 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 18.3 tttt -55.16 -33.41 62.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.38 -49.79 70.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 110.006 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 5.3 mp -68.7 -33.86 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.848 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.48 ' CD1' ' CD2' ' A' ' 429' ' ' PHE . 9.9 t80 -64.63 -46.56 82.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.936 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.19 90.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.758 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.92 -36.63 82.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.037 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.457 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.58 78.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.479 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.0 t -67.14 -32.95 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.964 0.411 . . . . 0.0 110.504 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -42.94 97.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.597 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.64 -30.42 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.08 -23.39 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 24.8 m -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.638 0.256 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.97 -32.11 22.66 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.507 2.138 . . . . 0.0 112.331 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.94 -45.12 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 2.5 m -179.72 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.61 146.57 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.44 110.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.81 120.4 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.38 135.63 43.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.36 133.37 51.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.235 1.957 . . . . 0.0 111.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.3 pt -102.45 33.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.76 -45.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -60.67 -28.93 68.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.3 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 404' ' ' ASP . 3.7 t0 -100.23 -9.03 22.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 403' ' ' ASP . 2.4 m-20 84.88 -21.43 0.24 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.609 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 6.5 tp -178.82 109.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 110.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.49 169.66 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -89.17 89.96 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -39.14 84.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 97.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.55 -32.07 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.07 -48.02 77.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.26 -31.19 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -94.07 146.17 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.6 -166.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -125.36 76.43 68.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.88 149.43 88.51 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -77.64 -10.65 59.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.469 -179.63 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.6 p -129.89 157.96 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 0.465 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -130.02 150.35 51.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.13 114.16 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.66 112.99 36.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.97 -2.85 13.11 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.289 1.993 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.04 -30.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.186 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 44.2 m -124.18 -12.09 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.833 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.9 t0 67.43 41.8 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.56 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.32 138.12 50.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.03 139.82 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.648 ' HD1' ' CD2' ' A' ' 429' ' ' PHE . 84.3 m-85 -133.23 117.04 14.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.284 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.42 157.9 20.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.646 2.231 . . . . 0.0 112.012 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.23 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.223 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.9 p -72.47 -23.98 61.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.404 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.99 16.31 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -54.99 -34.7 63.61 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.977 0.417 . . . . 0.0 110.382 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.13 -49.7 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.37 -33.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.915 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 1.625 ' HE2' ' CE1' ' A' ' 437' ' ' PHE . 12.3 t80 -64.85 -46.95 79.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.07 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.71 -43.92 90.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -36.76 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.968 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.419 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -64.56 -47.61 78.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.013 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.483 HG23 ' CE1' ' A' ' 437' ' ' PHE . 1.9 t -68.11 -32.93 58.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.88 0.371 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.53 -43.62 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.808 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.72 -29.81 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.23 -20.91 47.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -15.02 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.195 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.642 0.258 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.11 113.38 3.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 112.259 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.38 175.41 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 51.8 p -102.43 -174.66 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 34.3 pt -120.21 165.08 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.73 30.93 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.03 107.27 13.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 70.0 m -115.88 123.48 31.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.91 133.44 54.73 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.177 1.918 . . . . 0.0 112.08 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 2.3 pt -141.57 83.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 82.4 m -139.43 135.2 33.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.31 -23.01 47.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.03 60.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.468 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -83.81 -20.69 32.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.748 0.309 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ASP . . . . . 0.403 ' O ' ' CG1' ' A' ' 405' ' ' ILE . 1.9 t0 64.75 -171.16 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.003 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' ILE . . . . . 0.403 ' CG1' ' O ' ' A' ' 404' ' ' ASP . 40.1 pt 42.81 31.75 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 22.1 t -150.61 122.41 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.12 97.35 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.84 -29.16 55.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.18 131.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.49 -34.02 76.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.15 -47.91 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -32.66 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -31.36 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -77.43 -42.92 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.72 110.47 22.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -124.4 100.27 35.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.84 155.08 51.4 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.513 2.142 . . . . 0.0 112.229 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.79 -23.3 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' CYS . . . . . 0.422 ' N ' HD21 ' A' ' 418' ' ' LEU . 57.5 m -150.75 166.62 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' PHE . . . . . 1.63 ' HE2' ' CE1' ' A' ' 420' ' ' PHE . 65.5 m-85 -138.05 153.24 49.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 111.285 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.21 112.95 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.61 112.64 28.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.43 -3.96 14.62 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.585 2.19 . . . . 0.0 112.217 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 16.0 mt -95.43 -30.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 55.8 m -123.43 -10.91 7.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.835 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.51 36.25 3.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.65 139.06 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.02 139.1 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' PHE . . . . . 1.664 ' HE1' ' CE2' ' A' ' 429' ' ' PHE . 88.2 m-85 -131.7 120.79 17.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.75 157.88 49.56 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.501 2.134 . . . . 0.0 111.972 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.0 51.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.1 p -71.15 -26.05 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.217 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 15.88 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.701 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 19.0 tttm -54.87 -32.87 61.28 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.66 -49.81 69.54 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.747 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.94 -33.99 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.838 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . 0.477 ' CE1' ' CG2' ' A' ' 441' ' ' VAL . 12.1 t80 -64.43 -46.4 83.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.907 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -44.31 90.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -67.09 -36.77 82.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.473 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.3 t60 -64.63 -47.73 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.094 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.477 ' CG2' ' CE1' ' A' ' 437' ' ' PHE . 2.1 t -67.58 -32.9 58.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.53 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.33 -44.21 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -30.26 55.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.5 m-70 -79.12 -25.37 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.0 m -94.09 -15.21 24.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.02 152.06 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.19 112.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.0 t -76.56 112.89 24.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.42 -1.68 11.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.326 2.017 . . . . 0.0 112.346 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.4 -29.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.537 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 51.3 m -124.52 -8.13 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.871 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.62 41.65 7.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.06 139.93 49.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.46 141.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 92.3 m-85 -131.7 116.53 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.75 157.5 12.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.573 2.182 . . . . 0.0 112.27 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.64 -33.21 54.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.0 t -73.91 -22.35 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.437 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.05 18.06 9.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.845 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 13.5 tttt -54.8 -38.59 67.51 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -47.53 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.823 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.1 mm -65.94 -35.4 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.695 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.908 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.9 t80 -65.62 -45.79 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.204 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.47 -44.02 89.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.95 -36.88 83.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.39 -47.49 76.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.6 t -67.75 -32.95 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.194 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.9 -43.23 99.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.6 -30.91 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.537 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 8.0 m-70 -79.18 -16.85 55.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 8.0 m -102.06 -15.15 16.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.906 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.458 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -138.02 151.12 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 112.92 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.9 t -78.7 112.59 28.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -75.17 -4.66 15.69 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.594 2.196 . . . . 0.0 112.253 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.74 -30.93 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.338 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.487 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 47.0 m -122.94 -11.61 8.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.814 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 11.3 t70 67.62 39.12 2.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -114.97 140.82 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.8 mp -97.92 147.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.2 m-85 -138.02 115.97 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 157.39 13.08 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.595 2.196 . . . . 0.0 112.202 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.18 54.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.321 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.9 p -74.32 -22.59 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.501 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.637 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.8 OUTLIER -92.07 16.23 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.439 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 66.7 tttt -54.91 -34.2 62.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.96 0.409 . . . . 0.0 110.348 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.43 -49.73 70.37 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.637 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.8 mp -68.09 -34.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.896 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -64.91 -45.9 83.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.917 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -58.7 -44.11 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -67.15 -36.71 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.004 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -64.53 -47.5 78.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.1 -34.7 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.934 0.397 . . . . 0.0 110.457 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.8 OUTLIER -61.8 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.647 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.69 -31.45 57.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.487 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.4 m-70 -79.17 -20.98 47.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 21.9 m -96.06 -15.17 22.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.366 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 31.7 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.507 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 21.9 m-85 -129.69 158.41 39.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.294 0.569 . . . . 0.0 112.109 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.88 127.51 21.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.989 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.35 113.01 60.7 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -0.36 10.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.339 2.026 . . . . 0.0 112.517 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.39 -27.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.495 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 59.4 m -125.14 -8.36 7.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.761 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.26 42.15 15.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 143.02 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.97 149.03 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 69.6 m-85 -135.43 124.68 16.2 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.28 158.47 30.77 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.998 2.465 . . . . 0.0 111.911 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.36 52.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -6.68 53.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.479 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.642 ' HG3' HD13 ' A' ' 436' ' ' ILE . 6.3 tt0 -105.91 18.18 22.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -60.86 -41.12 95.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.115 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.22 -49.44 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.046 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.642 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.6 mp -65.56 -33.9 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.969 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -63.83 -47.25 81.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.897 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.24 -43.34 87.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.846 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.98 -36.84 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.808 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.97 -47.11 81.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.4 t -66.65 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.254 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.583 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.77 -29.83 55.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.495 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.9 m-70 -79.06 -25.97 43.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 42.8 m -92.53 -15.12 27.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.449 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.9 m-85 -137.05 151.64 49.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.04 112.92 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.2 112.83 28.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.2 -2.48 12.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.396 2.064 . . . . 0.0 112.409 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 15.8 mt -96.04 -30.38 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.488 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 39.6 m -124.0 -10.77 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.783 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.5 40.38 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.52 140.77 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.94 146.35 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.9 m-85 -138.04 116.29 9.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.89 157.46 12.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.631 2.221 . . . . 0.0 112.271 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.67 -33.3 54.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 4.1 t -74.87 -21.79 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.727 ' OE1' HD13 ' A' ' 436' ' ' ILE . 7.1 mt-10 -91.69 16.29 10.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -54.92 -35.56 64.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.41 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.32 -49.69 70.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 433' ' ' GLU . 2.8 mt -67.41 -34.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.949 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.6 t80 -65.8 -45.64 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.988 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.71 -44.06 90.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.881 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -67.04 -36.85 82.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.076 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -64.47 -47.48 78.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.027 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.2 -32.94 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.6 OUTLIER -62.76 -43.53 98.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.615 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.65 -31.04 56.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.488 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.3 m-70 -79.07 -19.71 50.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 33.2 p -97.85 -15.1 20.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 45.1 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.446 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 68.2 m-85 -138.01 151.62 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.1 112.89 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.756 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 112.69 26.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' PRO . . . . . 0.402 ' HD2' HD12 ' A' ' 424' ' ' ILE . 2.9 Cg_exo -74.68 -3.74 14.35 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.549 2.166 . . . . 0.0 112.167 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 423' ' ' PRO . 3.6 mp -96.82 -29.72 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.347 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.416 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 40.3 m -125.19 -7.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.68 36.1 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -108.58 137.52 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -97.93 138.83 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 78.3 m-85 -131.31 123.81 19.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 432' ' ' THR . 32.4 Cg_endo -64.36 157.7 53.03 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.582 2.188 . . . . 0.0 112.028 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.99 51.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 430' ' ' PRO . 5.9 t -71.98 -25.77 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.653 ' HG2' HD13 ' A' ' 436' ' ' ILE . 18.5 mt-10 -92.73 17.01 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -54.84 -33.85 62.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.97 0.414 . . . . 0.0 110.3 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -64.45 -49.68 70.51 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.807 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.653 HD13 ' HG2' ' A' ' 433' ' ' GLU . 3.7 mp -68.22 -34.4 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.935 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.4 t80 -64.89 -45.7 84.82 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.74 -44.16 90.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.814 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.09 -36.78 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.011 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -64.01 -47.58 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.58 -32.84 58.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.403 . . . . 0.0 110.445 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.83 -43.73 98.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.681 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.66 -31.2 57.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.05 -19.99 50.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 2.5 m -97.83 -15.21 20.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 44.3 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.463 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 66.4 m-85 -137.98 151.57 48.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.06 112.99 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.742 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.62 113.11 26.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.96 -1.46 11.63 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.325 2.017 . . . . 0.0 112.281 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.61 -29.82 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.3 m -123.88 -8.31 7.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.712 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.66 40.36 7.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -114.99 142.16 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.2 mt -99.12 146.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.4 m-85 -138.07 115.23 9.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 157.31 13.16 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.431 2.087 . . . . 0.0 112.227 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.33 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.313 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -23.14 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.669 ' CG ' HD13 ' A' ' 436' ' ' ILE . 0.1 OUTLIER -92.56 16.5 11.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -32.99 62.16 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.93 0.395 . . . . 0.0 110.431 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.42 -49.77 70.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.883 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.669 HD13 ' CG ' ' A' ' 433' ' ' GLU . 4.0 mp -68.45 -34.06 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.9 t80 -64.57 -46.65 81.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.973 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.82 -44.03 90.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -67.12 -36.75 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -64.52 -47.67 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.33 -32.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 110.384 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -43.74 96.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.764 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.69 -30.34 55.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.6 m-70 -79.2 -20.22 48.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 -15.15 18.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.248 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.737 0.303 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 73.2 m-85 -138.09 154.59 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.19 113.55 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.816 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.65 112.99 28.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.84 -1.22 11.35 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.457 2.105 . . . . 0.0 112.411 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.03 -30.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.497 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 44.5 m -122.86 -10.0 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.744 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 15.5 t70 67.0 37.14 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.812 0.339 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -109.51 146.65 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.89 143.29 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.45 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.5 m-85 -136.64 123.84 14.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.23 157.73 56.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.487 2.125 . . . . 0.0 112.032 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.12 43.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.269 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -25.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.469 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 436' ' ' ILE . 4.6 mt-10 -93.14 16.91 11.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 420' ' ' PHE . 0.2 OUTLIER -54.91 -33.16 61.81 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.293 179.672 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.45 -49.71 70.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.835 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.4 mt -68.46 -34.75 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.936 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.877 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.8 t80 -64.25 -46.42 83.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.854 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -44.09 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.824 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.91 -36.7 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.961 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.09 -32.84 59.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -43.27 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.67 -30.5 55.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.792 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.497 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.8 m-70 -79.19 -19.78 50.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 63.1 p -96.5 -15.15 21.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.308 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.844 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 429' ' ' PHE . 58.4 m-85 -137.4 153.3 50.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 0.0 111.848 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.11 124.94 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.9 t -89.01 112.67 52.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.95 -3.36 13.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 11.6 mt -99.68 -27.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.378 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 59.9 m -126.7 -7.3 6.2 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.37 43.11 10.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 137.54 51.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 30.0 mt -97.94 143.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.783 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 76.0 m-85 -131.73 119.15 16.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.726 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -59.0 158.8 23.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.774 2.316 . . . . 0.0 111.447 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -52.85 -33.37 49.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 111.298 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.3 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.63 17.91 23.05 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.96 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 7.6 ttpp -55.0 -43.93 74.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 109.723 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.13 -43.97 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.921 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mm -65.57 -37.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.5 t80 -63.32 -47.28 82.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.5 -36.76 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.55 -47.27 76.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.951 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.1 t -66.21 -32.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.94 -41.81 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.3 t -54.82 -29.71 55.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.404 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 9.1 m-70 -79.16 -21.54 46.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.23 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 t -97.91 -15.17 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.165 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.67 0.272 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.448 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.6 m-85 -138.02 152.24 48.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 111.161 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -140.11 113.04 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 48.2 t -76.69 113.29 28.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.09 -1.21 11.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.324 2.016 . . . . 0.0 112.418 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.4 mt -99.51 -29.31 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.504 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -124.02 -8.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.769 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 62.91 40.11 9.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 0.0 OUTLIER -114.91 140.86 48.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.814 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 6.3 mt -97.93 147.19 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.445 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 89.9 m-85 -137.62 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.91 157.42 13.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.461 2.107 . . . . 0.0 112.189 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.13 54.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -21.75 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.544 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 436' ' ' ILE . 2.6 mp0 -92.28 16.38 11.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -54.91 -34.98 63.67 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.931 0.396 . . . . 0.0 110.392 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -64.38 -49.65 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.85 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 433' ' ' GLU . 37.3 mt -67.78 -34.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.938 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -65.48 -46.24 80.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.02 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.61 -44.16 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.0 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.09 -36.82 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.951 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.47 -47.55 78.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.8 -32.85 58.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.88 0.372 . . . . 0.0 110.403 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -43.85 97.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.58 -30.96 55.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.504 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.4 m-70 -79.12 -21.22 46.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -15.19 25.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.793 0.33 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 428' ' ' ILE . 71.0 m-85 -138.01 152.77 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.18 116.37 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.899 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.85 112.9 38.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -77.26 -1.24 11.41 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.35 2.033 . . . . 0.0 112.473 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.04 -30.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.51 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 46.6 m -123.52 -9.91 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.805 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 t70 66.16 40.04 4.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.79 141.62 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.9 mt -100.56 143.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 94.2 m-85 -134.83 125.51 17.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.77 157.68 57.61 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.155 . . . . 0.0 112.097 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.49 -33.02 52.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 49.3 p -72.49 -25.18 61.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.395 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 436' ' ' ILE . 45.1 mt-10 -92.8 17.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.92 -33.77 62.46 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.981 0.42 . . . . 0.0 110.378 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 -49.8 70.14 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.583 HD12 ' HG2' ' A' ' 433' ' ' GLU . 27.4 mt -68.45 -33.9 62.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.867 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.912 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.6 t80 -64.96 -46.13 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.858 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -58.73 -44.15 90.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.855 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.09 -36.76 82.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.154 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -65.1 -47.56 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.45 -32.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.59 -31.37 56.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.51 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.0 m-70 -79.2 -21.92 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.6 m -95.81 -15.21 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 35.3 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 23.7 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.08 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.19 113.0 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.53 112.9 27.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -1.31 11.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.355 2.036 . . . . 0.0 112.435 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.73 -29.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.508 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -124.13 -7.74 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.794 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.6 38.9 11.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.989 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.0 140.46 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.02 142.77 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.492 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.9 m-85 -134.32 121.59 15.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.86 157.77 41.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.534 2.156 . . . . 0.0 112.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.31 -33.06 51.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.194 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -21.77 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.41 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.645 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -93.61 17.65 11.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.92 -37.76 66.8 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.94 0.4 . . . . 0.0 110.42 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' GLN . . . . . 0.584 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.5 OUTLIER -64.2 -49.58 71.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.296 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 433' ' ' GLU . 4.3 mp -67.82 -34.0 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.8 t80 -65.81 -45.39 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.945 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.62 -44.26 89.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -36.88 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.959 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -64.08 -47.52 79.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.028 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.25 -33.0 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.449 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.7 OUTLIER -63.15 -44.48 95.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.1 t -54.66 -29.54 52.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.508 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.3 m-70 -79.05 -14.36 59.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.248 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 17.0 m -101.83 -15.18 16.99 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.85 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.442 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 72.8 m-85 -138.03 152.28 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.12 115.24 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.3 t -80.25 112.61 32.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.3 -3.39 13.75 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.569 2.18 . . . . 0.0 112.379 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.8 mt -98.24 -28.53 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -125.67 -8.22 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.846 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 62.38 43.18 8.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -113.91 145.76 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.31 140.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.177 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 82.7 m-85 -133.87 119.15 14.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 18.4 Cg_endo -60.67 157.6 36.55 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.36 2.04 . . . . 0.0 111.95 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.39 -24.19 11.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.55 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.458 HG22 ' HB2' ' A' ' 430' ' ' PRO . 9.2 t -81.78 -23.1 36.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.355 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.582 ' HG3' HD12 ' A' ' 436' ' ' ILE . 6.1 tt0 -93.77 17.09 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.801 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -34.34 66.18 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.547 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -64.24 -49.72 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' A' ' 433' ' ' GLU . 24.3 mt -68.63 -33.87 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.923 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.883 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.0 t80 -64.19 -47.2 80.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.844 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -44.17 88.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -66.64 -36.83 83.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.872 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.04 -47.45 80.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.7 t -67.21 -32.88 59.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.946 0.403 . . . . 0.0 110.391 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -43.44 97.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.7 -30.39 55.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.91 49.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 72.4 p -100.84 -15.14 17.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.24 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.488 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.14 152.59 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.03 112.93 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.98 112.98 31.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.87 -2.44 12.67 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.422 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.44 -30.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.485 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 48.2 m -122.99 -12.55 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.792 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.66 41.38 1.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.886 0.374 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -115.04 146.15 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.14 138.92 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.1 m-85 -132.38 114.5 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.42 157.73 17.6 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.644 2.229 . . . . 0.0 112.164 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.23 53.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -24.33 61.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.233 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 436' ' ' ILE . 5.6 mt-10 -92.29 16.05 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -54.88 -34.25 62.8 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.907 0.384 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.43 -49.75 70.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.8 mp -68.11 -33.93 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.957 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.0 t80 -64.98 -46.08 82.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.989 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.69 -44.24 90.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.789 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.23 -36.69 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.088 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -64.76 -47.75 77.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.049 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.81 -32.94 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.5 OUTLIER -62.83 -44.3 96.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -31.05 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.485 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.0 m-70 -79.08 -21.92 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.074 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.7 t -93.96 -15.16 25.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 39.5 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 437' ' ' PHE . 77.4 m-85 -131.25 152.44 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -140.18 116.64 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.69 112.96 41.55 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.52 -1.33 11.4 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.292 1.994 . . . . 0.0 112.473 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 -29.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.509 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 39.1 m -124.89 -8.11 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.865 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.49 44.43 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 2.8 tttt -115.09 143.76 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.17 138.94 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 84.7 m-85 -132.45 124.43 19.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.38 157.68 56.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.54 2.16 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.77 30.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.457 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 55.1 p -79.36 -24.08 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 436' ' ' ILE . 49.8 tt0 -93.8 16.69 13.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.608 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 23.7 ttpt -56.77 -32.31 65.49 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -49.69 71.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.173 0.511 . . . . 0.0 109.976 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 433' ' ' GLU . 41.6 mt -68.44 -33.87 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.797 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.5 t80 -64.07 -47.2 81.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.899 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.58 -44.08 89.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.896 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.09 -36.71 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.879 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.18 -47.55 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.44 -32.94 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -44.58 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.76 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.69 -30.35 55.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.509 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.7 m-70 -79.15 -16.35 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.43 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 p -98.41 -15.21 19.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.913 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 428' ' ' ILE . 42.4 m-85 -137.98 151.49 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.276 0.56 . . . . 0.0 112.334 -177.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -140.25 120.39 13.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.3 112.61 47.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.15 -3.83 14.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.626 2.217 . . . . 0.0 112.254 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.5 mt -95.53 -30.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.473 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 54.2 m -123.37 -10.61 7.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.788 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.08 38.25 3.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.786 0.327 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.08 136.86 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 420' ' ' PHE . 30.3 mt -97.94 140.93 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.407 ' CB ' ' HB2' ' A' ' 437' ' ' PHE . 86.6 m-85 -129.4 123.85 21.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.417 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.08 158.32 55.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.752 2.301 . . . . 0.0 111.661 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.37 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.106 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -25.42 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.442 ' HG2' HD12 ' A' ' 436' ' ' ILE . 13.6 mt-10 -95.7 18.01 13.85 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.634 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -56.75 -35.76 68.98 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.04 0.447 . . . . 0.0 110.254 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.27 -49.61 71.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.808 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.442 HD12 ' HG2' ' A' ' 433' ' ' GLU . 4.9 mt -68.04 -33.81 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.916 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.2 t80 -65.04 -47.51 77.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.123 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.985 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -67.22 -36.7 82.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.017 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -63.84 -47.73 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.2 t -66.92 -32.87 59.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.406 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.49 -44.51 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.59 -30.37 54.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.473 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 8.2 m-70 -79.14 -23.68 43.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 m -97.61 -15.15 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 13.4 m-85 -126.3 158.09 36.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.42 0.629 . . . . 0.0 112.523 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -140.4 129.08 22.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.1 t -92.98 113.0 58.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.753 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.33 -0.76 10.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.348 2.032 . . . . 0.0 112.458 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 18.8 mt -101.46 -27.98 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 57.7 m -125.84 -6.25 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.825 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.15 42.3 12.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.386 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -115.12 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 35.8 mt -98.02 152.37 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 59.2 m-85 -138.07 122.1 11.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.39 159.0 17.16 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.827 2.351 . . . . 0.0 111.736 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.31 49.62 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.539 0.209 . . . . 0.0 111.529 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.837 HG23 ' OE1' ' A' ' 433' ' ' GLU . 2.7 t -75.59 -8.47 56.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.356 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.837 ' OE1' HG23 ' A' ' 432' ' ' THR . 0.3 OUTLIER -103.72 18.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -58.36 -42.99 88.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.134 0.492 . . . . 0.0 109.754 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.5 -49.21 72.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.998 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.2 mm -62.57 -39.38 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.259 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.8 t80 -61.88 -47.13 86.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.319 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.0 -42.6 85.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.159 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -36.97 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 109.839 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.8 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 437' ' ' PHE . 0.9 OUTLIER -66.37 -32.84 59.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.412 . . . . 0.0 110.092 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.73 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.56 -30.45 54.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.3 m-70 -79.25 -18.58 52.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.241 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 9.2 p -99.79 -15.17 18.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.327 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.835 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.451 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 77.5 m-85 -127.81 152.59 47.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.99 116.71 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.58 112.61 38.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.45 -4.61 15.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 0.0 112.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 39.2 mt -95.22 -29.64 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 55.9 m -124.15 -10.56 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.9 0.334 . . . . 0.0 111.9 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.09 42.97 3.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.957 0.408 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -115.06 146.47 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.56 140.36 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 86.7 m-85 -132.45 116.19 15.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.18 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.17 157.75 13.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.117 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.6 -33.14 53.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.161 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.7 p -73.91 -22.39 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.453 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.416 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -92.07 15.85 12.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.992 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -54.95 -35.97 64.81 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.917 0.389 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.21 -49.4 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.827 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.416 HD12 ' HG3' ' A' ' 433' ' ' GLU . 38.9 mt -67.19 -33.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.995 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.886 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -65.56 -47.02 77.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -44.01 89.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.92 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -36.86 83.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.954 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.413 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.13 -47.58 79.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.8 t -67.46 -32.96 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 0.0 110.414 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.75 -42.74 97.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.718 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.77 -30.18 56.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.983 0.421 . . . . 0.0 110.733 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.18 -23.19 44.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.607 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.2 OUTLIER -93.58 -15.19 25.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.171 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.85 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.862 0.363 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 64.6 m-85 -138.07 151.17 47.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.09 113.02 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.753 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.47 112.95 27.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -1.69 11.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.433 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.47 -29.53 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.421 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 47.1 m -124.91 -8.32 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.775 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.44 35.64 9.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 140.17 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.1 mp -98.04 145.77 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.48 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.08 115.27 9.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.88 157.54 12.77 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.514 2.143 . . . . 0.0 112.173 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.11 54.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.9 t -74.61 -22.68 58.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.574 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.944 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.0 OUTLIER -91.99 16.27 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.44 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 18.3 tttt -55.16 -33.41 62.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.38 -49.79 70.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 110.006 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.944 HD13 ' HG3' ' A' ' 433' ' ' GLU . 5.3 mp -68.7 -33.86 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.848 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.879 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.9 t80 -64.63 -46.56 82.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.936 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.19 90.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.758 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.92 -36.63 82.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.037 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.31 -47.58 78.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.14 -32.95 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.964 0.411 . . . . 0.0 110.504 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -42.94 97.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.597 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.64 -30.42 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.08 -23.39 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.555 ' HB2' HD23 ' A' ' 446' ' ' LEU . 24.8 m -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 445' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.465 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -130.02 150.35 51.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.13 114.16 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.66 112.99 36.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.97 -2.85 13.11 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.289 1.993 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.04 -30.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.186 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.42 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 44.2 m -124.18 -12.09 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.833 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.9 t0 67.43 41.8 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.56 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.32 138.12 50.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.03 139.82 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 84.3 m-85 -133.23 117.04 14.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.284 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.42 157.9 20.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.646 2.231 . . . . 0.0 112.012 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.23 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.223 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.9 p -72.47 -23.98 61.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.404 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.99 16.31 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -54.99 -34.7 63.61 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.977 0.417 . . . . 0.0 110.382 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.13 -49.7 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.37 -33.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.915 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -64.85 -46.95 79.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.07 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.71 -43.92 90.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -36.76 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.968 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.419 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -64.56 -47.61 78.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.013 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -68.11 -32.93 58.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.88 0.371 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.483 ' HD1' HD21 ' A' ' 446' ' ' LEU . 3.3 m-85 -63.53 -43.62 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.72 -29.81 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.23 -20.91 47.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.726 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.3 OUTLIER -99.3 -15.02 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.195 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.675 0.274 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 420' ' ' PHE . . . . . 0.47 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 65.5 m-85 -138.05 153.24 49.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 111.285 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.21 112.95 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.61 112.64 28.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.43 -3.96 14.62 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.585 2.19 . . . . 0.0 112.217 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 16.0 mt -95.43 -30.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' CYS . . . . . 0.501 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 55.8 m -123.43 -10.91 7.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.835 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.51 36.25 3.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.65 139.06 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.02 139.1 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 88.2 m-85 -131.7 120.79 17.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.75 157.88 49.56 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.501 2.134 . . . . 0.0 111.972 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.0 51.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.1 p -71.15 -26.05 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.217 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLU . . . . . 0.688 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.2 OUTLIER -92.81 15.88 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.701 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 434' ' ' LYS . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 19.0 tttm -54.87 -32.87 61.28 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.66 -49.81 69.54 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.747 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' ILE . . . . . 0.688 HD12 ' HG3' ' A' ' 433' ' ' GLU . 11.2 mt -68.94 -33.99 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' PHE . . . . . 0.903 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.1 t80 -64.43 -46.4 83.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.907 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -44.31 90.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -67.09 -36.77 82.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -64.63 -47.73 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.58 -32.9 58.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.53 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.33 -44.21 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -30.26 55.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.501 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.5 m-70 -79.12 -25.37 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.491 ' C ' HD23 ' A' ' 446' ' ' LEU . 5.0 m -94.09 -15.21 24.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.651 0.262 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.93 -23.02 14.37 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 5.6 mt 61.51 151.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.8 160.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 394' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 394' ' ' ILE . 6.7 tp -70.42 122.46 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.04 96.97 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 134.48 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 84.8 m -88.98 129.93 46.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.01 133.37 26.76 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.193 1.928 . . . . 0.0 112.033 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.4 mt -78.1 -42.93 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.81 147.95 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -34.22 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 405' ' ' ILE . . . -69.41 -31.41 69.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.34 -19.26 33.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.46 -27.61 16.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.225 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 405' ' ' ILE . 10.3 tt -82.18 59.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.95 -179.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.762 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.92 92.01 8.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -27.55 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 m 64.21 114.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -30.94 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -70.89 -32.95 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.88 -31.26 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.12 46.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.1 ttp -154.07 118.45 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -112.46 106.72 55.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.77 161.58 21.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 0.0 112.258 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.69 -22.7 12.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.578 ' H ' HD22 ' A' ' 418' ' ' LEU . 25.7 p -156.1 164.72 38.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.683 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.02 152.06 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.19 112.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.0 t -76.56 112.89 24.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.42 -1.68 11.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.326 2.017 . . . . 0.0 112.346 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.4 -29.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 51.3 m -124.52 -8.13 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.871 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.62 41.65 7.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.06 139.93 49.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.46 141.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 92.3 m-85 -131.7 116.53 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.75 157.5 12.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.573 2.182 . . . . 0.0 112.27 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.64 -33.21 54.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.0 t -73.91 -22.35 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.437 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.05 18.06 9.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.845 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 13.5 tttt -54.8 -38.59 67.51 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -47.53 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.823 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.1 mm -65.94 -35.4 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.695 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.908 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.9 t80 -65.62 -45.79 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.204 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.47 -44.02 89.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.95 -36.88 83.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.39 -47.49 76.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.6 t -67.75 -32.95 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.194 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.9 -43.23 99.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.6 -30.91 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.18 -16.85 55.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 8.0 m -102.06 -15.15 16.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.906 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.26 62.7 2.68 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 1.8 mt -113.11 -41.45 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 t 57.93 105.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.2 102.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -150.95 -78.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.77 115.55 26.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.5 m -113.93 132.43 22.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.03 133.44 26.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.146 1.897 . . . . 0.0 112.069 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.8 -62.55 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.74 -47.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.9 -30.12 50.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.91 -21.3 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.95 -23.04 31.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -78.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 406' ' ' CYS . 6.6 tp -166.88 -43.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.992 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' CYS . . . . . 0.468 ' N ' HG23 ' A' ' 405' ' ' ILE . 33.0 m -64.21 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.99 128.23 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -34.68 58.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.01 123.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.97 -37.77 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.86 -31.73 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.6 -31.95 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -72.22 -38.21 69.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -118.3 102.27 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 21.5 ttm -130.02 116.63 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 417' ' ' PRO . 30.9 tt0 -140.72 144.14 34.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 416' ' ' GLN . 36.0 Cg_exo -60.83 156.4 43.66 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.472 2.114 . . . . 0.0 112.27 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.701 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.33 -21.51 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.576 ' H ' HD22 ' A' ' 418' ' ' LEU . 25.6 p -156.06 165.02 37.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.712 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.458 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -138.02 151.12 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 112.92 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.9 t -78.7 112.59 28.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -75.17 -4.66 15.69 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.594 2.196 . . . . 0.0 112.253 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.74 -30.93 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.338 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 47.0 m -122.94 -11.61 8.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.814 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 11.3 t70 67.62 39.12 2.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -114.97 140.82 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.8 mp -97.92 147.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.2 m-85 -138.02 115.97 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 157.39 13.08 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.595 2.196 . . . . 0.0 112.202 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.69 -33.18 54.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.9 p -74.32 -22.59 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.501 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.637 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.8 OUTLIER -92.07 16.23 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.439 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 66.7 tttt -54.91 -34.2 62.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.96 0.409 . . . . 0.0 110.348 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.43 -49.73 70.37 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.637 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.8 mp -68.09 -34.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.896 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -64.91 -45.9 83.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.917 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -58.7 -44.11 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -67.15 -36.71 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.004 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.452 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.53 -47.5 78.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.062 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.1 -34.7 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.934 0.397 . . . . 0.0 110.457 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.8 OUTLIER -61.8 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.647 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.69 -31.45 57.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.17 -20.98 47.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 21.9 m -96.06 -15.17 22.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.366 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 31.7 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.676 0.274 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.734 ' HG2' HD23 ' A' ' 392' ' ' LEU . 47.3 Cg_endo -68.73 -27.48 31.75 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.465 2.11 . . . . 0.0 112.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' LEU . . . . . 0.734 HD23 ' HG2' ' A' ' 391' ' ' PRO . 0.4 OUTLIER -110.63 157.29 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 33.3 m -153.55 -46.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -85.58 137.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.837 ' N ' HD13 ' A' ' 394' ' ' ILE . 0.0 OUTLIER -112.89 124.58 52.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -100.48 120.91 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.96 145.18 46.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.32 133.39 30.25 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.278 1.985 . . . . 0.0 112.01 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.436 ' HA ' ' CE1' ' A' ' 408' ' ' HIS . 20.6 mt 64.48 97.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.2 m -168.65 160.67 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -31.42 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.19 -27.92 65.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.51 11.18 22.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 62.4 119.49 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.412 ' O ' HD12 ' A' ' 405' ' ' ILE . 1.5 pp -98.31 31.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 33.5 t -68.89 -67.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.84 90.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 399' ' ' ILE . 0.3 OUTLIER -86.58 -30.13 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.7 m 61.82 105.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -36.32 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.28 -36.15 81.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -31.57 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -47.05 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -71.2 122.11 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.8 ttt -159.35 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -170.97 73.82 0.54 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.54 162.06 43.81 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.571 2.18 . . . . 0.0 112.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.6 OUTLIER -97.62 -5.05 36.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.53 157.81 40.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.06 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.507 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 21.9 m-85 -129.69 158.41 39.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.294 0.569 . . . . 0.0 112.109 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.88 127.51 21.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.989 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.35 113.01 60.7 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -0.36 10.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.339 2.026 . . . . 0.0 112.517 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.39 -27.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.14 -8.36 7.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.761 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.26 42.15 15.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 143.02 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.97 149.03 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 69.6 m-85 -135.43 124.68 16.2 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.28 158.47 30.77 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.998 2.465 . . . . 0.0 111.911 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.23 -33.36 52.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -6.68 53.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.479 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.642 ' HG3' HD13 ' A' ' 436' ' ' ILE . 6.3 tt0 -105.91 18.18 22.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -60.86 -41.12 95.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.115 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.22 -49.44 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.046 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.642 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.6 mp -65.56 -33.9 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.969 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -63.83 -47.25 81.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.897 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.24 -43.34 87.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.846 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.98 -36.84 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.808 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.97 -47.11 81.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.4 t -66.65 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.254 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.583 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.77 -29.83 55.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.9 m-70 -79.06 -25.97 43.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 42.8 m -92.53 -15.12 27.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.597 0.237 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.13 -26.17 42.9 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.443 2.095 . . . . 0.0 112.249 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.16 -46.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.421 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 42.2 t -178.0 121.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 394' ' ' ILE . 6.5 tt -90.33 54.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.27 17.11 9.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.297 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 124.71 48.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.1 m -101.8 122.94 45.68 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.11 133.49 26.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.182 1.922 . . . . 0.0 112.043 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 400' ' ' CYS . 18.9 tt -175.97 -40.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 400' ' ' CYS . . . . . 0.416 ' N ' HG23 ' A' ' 399' ' ' ILE . 1.7 m -158.06 -45.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -29.12 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -36.18 70.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.32 -23.14 21.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.73 -176.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 405' ' ' ILE . 4.2 mt 59.74 34.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.24 168.23 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -126.19 117.44 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 412' ' ' GLN . 0.0 OUTLIER -85.4 -40.88 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 5.2 p 57.65 170.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.458 HD23 ' HG3' ' A' ' 414' ' ' GLN . 0.1 OUTLIER -63.81 -25.97 68.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.07 -39.78 75.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.047 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' GLN . . . . . 0.426 ' HB3' ' CE1' ' A' ' 408' ' ' HIS . 0.0 OUTLIER -69.53 -35.14 75.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.73 -40.38 55.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' GLN . . . . . 0.458 ' HG3' HD23 ' A' ' 410' ' ' LEU . 19.9 mt-30 -75.52 153.93 37.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -175.41 146.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -99.56 108.29 49.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' PRO . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 420' ' ' PHE . 39.0 Cg_exo -60.82 151.6 76.0 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.183 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.723 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.26 -22.69 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.549 ' H ' HD22 ' A' ' 418' ' ' LEU . 28.0 p -156.04 164.28 38.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.624 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.449 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.9 m-85 -137.05 151.64 49.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.04 112.92 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.2 112.83 28.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.2 -2.48 12.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.396 2.064 . . . . 0.0 112.409 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 15.8 mt -96.04 -30.38 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 39.6 m -124.0 -10.77 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.783 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.5 40.38 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.52 140.77 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.94 146.35 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.9 m-85 -138.04 116.29 9.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.89 157.46 12.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.631 2.221 . . . . 0.0 112.271 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.67 -33.3 54.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 4.1 t -74.87 -21.79 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.727 ' OE1' HD13 ' A' ' 436' ' ' ILE . 7.1 mt-10 -91.69 16.29 10.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -54.92 -35.56 64.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.41 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.32 -49.69 70.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 433' ' ' GLU . 2.8 mt -67.41 -34.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.949 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.6 t80 -65.8 -45.64 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.988 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.71 -44.06 90.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.881 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -67.04 -36.85 82.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.076 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.47 -47.48 78.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.027 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.2 -32.94 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.6 OUTLIER -62.76 -43.53 98.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.615 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.65 -31.04 56.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.07 -19.71 50.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 33.2 p -97.85 -15.1 20.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 45.1 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 390' ' ' SER . . . . . 0.43 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 1.5 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.613 0.244 . . . . 0.0 111.593 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 390' ' ' SER . 71.7 Cg_endo -77.38 59.31 6.62 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.464 2.109 . . . . 0.0 112.371 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.07 172.96 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -93.91 -31.41 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 10.8 pt -90.42 146.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.93 31.55 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -117.16 128.87 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 24.2 t -126.93 128.04 24.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 133.43 53.12 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.126 1.884 . . . . 0.0 112.144 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 7.8 pt -142.39 78.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.35 129.67 53.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -63.52 -31.93 73.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.32 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.66 -23.09 20.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.66 147.18 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.3 tt -109.25 -25.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 173.85 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.3 120.8 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -36.06 75.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.81 115.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -31.25 71.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.75 -43.02 85.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.8 -31.15 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.17 -45.01 86.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -85.0 163.34 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.53 119.84 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.33 94.9 1.73 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.74 144.59 60.15 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.438 2.092 . . . . 0.0 112.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.701 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.74 -21.64 13.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 418' ' ' LEU . 30.5 p -152.91 164.41 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.626 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.446 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 68.2 m-85 -138.01 151.62 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.1 112.89 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.756 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 112.69 26.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' PRO . . . . . 0.402 ' HD2' HD12 ' A' ' 424' ' ' ILE . 2.9 Cg_exo -74.68 -3.74 14.35 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.549 2.166 . . . . 0.0 112.167 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 423' ' ' PRO . 3.6 mp -96.82 -29.72 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.347 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 40.3 m -125.19 -7.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.68 36.1 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -108.58 137.52 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -97.93 138.83 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 78.3 m-85 -131.31 123.81 19.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 432' ' ' THR . 32.4 Cg_endo -64.36 157.7 53.03 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.582 2.188 . . . . 0.0 112.028 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.99 51.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 430' ' ' PRO . 5.9 t -71.98 -25.77 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.653 ' HG2' HD13 ' A' ' 436' ' ' ILE . 18.5 mt-10 -92.73 17.01 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -54.84 -33.85 62.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.97 0.414 . . . . 0.0 110.3 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -64.45 -49.68 70.51 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.807 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.653 HD13 ' HG2' ' A' ' 433' ' ' GLU . 3.7 mp -68.22 -34.4 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.935 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.4 t80 -64.89 -45.7 84.82 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.74 -44.16 90.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.814 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.09 -36.78 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.011 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.444 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.01 -47.58 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.58 -32.84 58.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.403 . . . . 0.0 110.445 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.83 -43.73 98.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.681 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.66 -31.2 57.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.05 -19.99 50.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 2.5 m -97.83 -15.21 20.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 44.3 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.737 0.303 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.99 -27.54 25.23 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 2.0 mt -166.31 175.75 8.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 53.0 p -153.47 144.78 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.29 136.6 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -104.72 -176.91 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -95.96 133.21 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 59.7 m -103.35 142.09 23.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.02 133.36 26.71 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.294 1.996 . . . . 0.0 112.065 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.493 HD11 ' HG3' ' A' ' 413' ' ' GLN . 1.6 pt -115.14 69.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.91 137.21 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -78.05 -28.58 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -65.66 -28.2 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.219 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -23.11 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.17 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.68 178.78 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.508 ' O ' HD12 ' A' ' 405' ' ' ILE . 2.6 pp -140.9 29.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 28.0 p -136.45 -175.35 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.19 124.62 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -78.27 -21.75 49.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 3.0 p 62.91 140.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.26 -27.43 69.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.0 -44.81 83.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -72.07 -31.07 65.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' GLN . . . . . 0.493 ' HG3' HD11 ' A' ' 399' ' ' ILE . 0.0 OUTLIER -68.29 -35.76 78.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.35 163.52 14.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.6 ttp -141.4 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 59.94 88.81 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.78 155.95 46.05 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.575 2.183 . . . . 0.0 112.39 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.713 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.76 -22.51 12.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.033 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.589 ' N ' HD22 ' A' ' 418' ' ' LEU . 30.3 p -145.94 163.81 33.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.463 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 66.4 m-85 -137.98 151.57 48.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.06 112.99 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.742 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.62 113.11 26.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.96 -1.46 11.63 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.325 2.017 . . . . 0.0 112.281 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.61 -29.82 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.3 m -123.88 -8.31 7.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.712 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.66 40.36 7.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -114.99 142.16 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.2 mt -99.12 146.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.4 m-85 -138.07 115.23 9.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 157.31 13.16 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.431 2.087 . . . . 0.0 112.227 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.75 -33.33 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.313 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -23.14 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.669 ' CG ' HD13 ' A' ' 436' ' ' ILE . 0.1 OUTLIER -92.56 16.5 11.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -32.99 62.16 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.93 0.395 . . . . 0.0 110.431 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.42 -49.77 70.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.883 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.669 HD13 ' CG ' ' A' ' 433' ' ' GLU . 4.0 mp -68.45 -34.06 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.9 t80 -64.57 -46.65 81.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.973 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.82 -44.03 90.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -67.12 -36.75 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.8 t60 -64.52 -47.67 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.33 -32.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 110.384 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -43.74 96.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.764 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.69 -30.34 55.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.6 m-70 -79.2 -20.22 48.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 -15.15 18.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.248 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.31 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.585 2.19 . . . . 0.0 112.674 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 392' ' ' LEU . 3.8 mp -54.92 -31.47 60.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.73 129.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.88 92.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -33.79 66.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.5 130.37 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.57 135.31 20.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.32 133.47 43.51 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.16 1.907 . . . . 0.0 112.048 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.829 HD13 ' O ' ' A' ' 399' ' ' ILE . 0.0 OUTLIER -74.94 -33.6 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.5 m -162.98 96.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.39 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.76 11.04 21.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.9 t0 57.53 -179.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.564 ' O ' HG23 ' A' ' 405' ' ' ILE . 0.7 OUTLIER -121.9 112.39 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.89 -67.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -128.91 114.18 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.52 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.9 p 62.24 142.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 14.3 tp -65.07 -28.42 69.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.26 -43.01 82.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.037 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -66.62 -31.45 72.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -68.51 -46.83 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -80.05 91.52 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 49.6 tpp -164.22 56.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 110.3 52.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.83 146.98 96.65 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.466 2.111 . . . . 0.0 112.239 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.58 -25.62 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.641 ' H ' HD22 ' A' ' 418' ' ' LEU . 57.6 m -151.64 166.97 29.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 73.2 m-85 -138.09 154.59 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.19 113.55 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.816 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.65 112.99 28.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.84 -1.22 11.35 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.457 2.105 . . . . 0.0 112.411 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.03 -30.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 44.5 m -122.86 -10.0 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.744 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 15.5 t70 67.0 37.14 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.812 0.339 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -109.51 146.65 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.89 143.29 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.45 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.5 m-85 -136.64 123.84 14.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.23 157.73 56.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.487 2.125 . . . . 0.0 112.032 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.41 -31.12 43.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.269 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -25.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.469 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 436' ' ' ILE . 4.6 mt-10 -93.14 16.91 11.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 420' ' ' PHE . 0.2 OUTLIER -54.91 -33.16 61.81 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.293 179.672 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.45 -49.71 70.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.835 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.4 mt -68.46 -34.75 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.936 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.877 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.8 t80 -64.25 -46.42 83.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.854 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -44.09 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.824 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.91 -36.7 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.961 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.09 -32.84 59.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -43.27 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.67 -30.5 55.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.792 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.78 50.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 63.1 p -96.5 -15.15 21.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.308 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.844 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.674 0.273 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 90.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.646 2.231 . . . . 0.0 112.18 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.03 167.84 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 93.4 p -60.2 -174.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.3 pt -99.23 32.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -153.16 112.27 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.88 133.35 48.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.58 132.67 21.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.058 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.99 133.54 27.24 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.199 1.933 . . . . 0.0 111.956 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.618 ' O ' HD12 ' A' ' 399' ' ' ILE . 1.3 pp -82.59 56.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 36.8 t -86.13 117.53 25.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -31.38 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.74 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.17 4.41 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.412 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.95 -177.36 3.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 405' ' ' ILE . 3.3 mp -76.65 -63.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 12.0 t -175.53 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 98.67 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.07 -36.04 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 m 63.07 121.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -31.15 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -37.59 78.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -69.02 -32.21 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -71.67 -34.46 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.06 175.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.5 tpp -77.62 131.12 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 417' ' ' PRO . 13.8 mt-30 -67.5 137.85 93.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 416' ' ' GLN . 35.1 Cg_exo -60.8 142.76 98.61 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.387 2.058 . . . . 0.0 112.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 3.7 mp -77.64 -5.4 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.691 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.1 p -129.25 157.47 41.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 429' ' ' PHE . 58.4 m-85 -137.4 153.3 50.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 0.0 111.848 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.11 124.94 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.9 t -89.01 112.67 52.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.95 -3.36 13.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 11.6 mt -99.68 -27.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.378 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 59.9 m -126.7 -7.3 6.2 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.37 43.11 10.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 137.54 51.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 30.0 mt -97.94 143.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.783 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 76.0 m-85 -131.73 119.15 16.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.726 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -59.0 158.8 23.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.774 2.316 . . . . 0.0 111.447 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -52.85 -33.37 49.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.3 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.63 17.91 23.05 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.96 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 7.6 ttpp -55.0 -43.93 74.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 109.723 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.13 -43.97 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.921 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mm -65.57 -37.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.5 t80 -63.32 -47.28 82.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.5 -36.76 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.55 -47.27 76.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.951 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.1 t -66.21 -32.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.94 -41.81 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.3 t -54.82 -29.71 55.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.404 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 9.1 m-70 -79.16 -21.54 46.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.23 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 t -97.91 -15.17 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.165 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.745 0.307 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 97.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.601 2.201 . . . . 0.0 112.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 7.6 tt -79.34 148.48 32.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.93 155.56 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.81 -32.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 140.89 50.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 127.04 52.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 123.11 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.34 133.49 56.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.095 1.863 . . . . 0.0 112.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.13 -52.16 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 42.6 t -111.78 -34.16 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -59.29 -30.4 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.38 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.229 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.96 -23.1 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -177.62 175.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 3.7 pt -82.82 76.36 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.31 162.8 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.06 117.28 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.11 -31.47 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.65 128.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.61 -38.63 81.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -31.54 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -33.03 72.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -137.71 68.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 6.3 ttm -70.71 172.0 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -59.43 136.66 89.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.64 144.0 31.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.592 2.195 . . . . 0.0 112.395 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.704 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.68 -21.45 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.585 ' N ' HD22 ' A' ' 418' ' ' LEU . 27.7 p -154.92 165.02 38.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.448 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.6 m-85 -138.02 152.24 48.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 111.161 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -140.11 113.04 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 48.2 t -76.69 113.29 28.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.09 -1.21 11.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.324 2.016 . . . . 0.0 112.418 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.4 mt -99.51 -29.31 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.02 -8.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.769 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 62.91 40.11 9.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 0.0 OUTLIER -114.91 140.86 48.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.814 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 6.3 mt -97.93 147.19 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.445 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 89.9 m-85 -137.62 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.91 157.42 13.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.461 2.107 . . . . 0.0 112.189 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.76 -33.13 54.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -21.75 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.544 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 436' ' ' ILE . 2.6 mp0 -92.28 16.38 11.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -54.91 -34.98 63.67 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.931 0.396 . . . . 0.0 110.392 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -64.38 -49.65 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.85 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 433' ' ' GLU . 37.3 mt -67.78 -34.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.938 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -65.48 -46.24 80.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.02 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.61 -44.16 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.0 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.09 -36.82 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.951 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.47 -47.55 78.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.8 -32.85 58.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.88 0.372 . . . . 0.0 110.403 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -43.85 97.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.58 -30.96 55.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.12 -21.22 46.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -15.19 25.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.704 0.287 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.87 123.26 8.81 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.288 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 6.0 mp -92.68 153.71 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 167.58 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 14.9 tt -77.36 158.75 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.06 40.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 126.0 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.35 138.04 28.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.77 133.39 29.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.284 1.989 . . . . 0.0 112.036 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 17.8 tt -108.27 -31.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.55 39.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.0 57.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -75.67 -30.55 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.92 -23.1 14.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -134.7 172.7 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 406' ' ' CYS . 1.1 tp -174.52 -40.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 405' ' ' ILE . 0.5 OUTLIER -85.31 -62.96 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.51 97.3 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -87.09 -30.95 20.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.28 96.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 410' ' ' LEU . 3.6 mp -63.26 -33.38 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.47 -33.52 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -65.99 -35.04 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -79.94 -42.58 23.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.006 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.83 170.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.6 tpp -118.32 99.59 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.53 163.48 24.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' PRO . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 420' ' ' PHE . 37.3 Cg_exo -60.78 145.75 98.47 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.715 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.09 -20.28 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.498 ' N ' HD22 ' A' ' 418' ' ' LEU . 30.4 p -155.87 164.13 38.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.667 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 428' ' ' ILE . 71.0 m-85 -138.01 152.77 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.18 116.37 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.899 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.85 112.9 38.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -77.26 -1.24 11.41 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.35 2.033 . . . . 0.0 112.473 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.04 -30.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 46.6 m -123.52 -9.91 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.805 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 t70 66.16 40.04 4.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.79 141.62 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.9 mt -100.56 143.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 94.2 m-85 -134.83 125.51 17.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.77 157.68 57.61 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.155 . . . . 0.0 112.097 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.49 -33.02 52.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 49.3 p -72.49 -25.18 61.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.395 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 436' ' ' ILE . 45.1 mt-10 -92.8 17.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.92 -33.77 62.46 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.981 0.42 . . . . 0.0 110.378 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 -49.8 70.14 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.583 HD12 ' HG2' ' A' ' 433' ' ' GLU . 27.4 mt -68.45 -33.9 62.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.867 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.912 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.6 t80 -64.96 -46.13 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.858 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -58.73 -44.15 90.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.855 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.09 -36.76 82.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.154 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.0 t60 -65.1 -47.56 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.45 -32.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.59 -31.37 56.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.2 -21.92 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.6 m -95.81 -15.21 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 35.3 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.636 0.255 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -51.64 109.63 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.606 2.204 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 2.3 mt -118.53 -72.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.6 88.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 394' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 394' ' ' ILE . 5.8 tt -166.06 51.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.75 126.51 54.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -90.18 106.67 18.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.26 134.34 19.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.07 133.34 26.58 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.222 1.948 . . . . 0.0 112.1 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 399' ' ' ILE . 4.7 tp -141.96 74.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.02 113.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -33.67 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -79.57 -33.22 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.0 11.1 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.35 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.62 149.85 42.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 6.8 tp -171.69 145.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.039 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 18.4 m -57.56 -50.7 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.03 101.62 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.62 -31.31 61.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.2 143.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.97 -27.99 69.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -41.54 98.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.18 -34.65 76.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.65 -44.62 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 63.0 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.9 ptt? 178.21 81.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.35 133.78 7.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.01 146.64 25.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 112.358 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.718 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.71 -23.02 12.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.999 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.601 ' H ' HD22 ' A' ' 418' ' ' LEU . 23.7 p -156.16 166.46 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.749 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.08 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.19 113.0 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.53 112.9 27.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -1.31 11.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.355 2.036 . . . . 0.0 112.435 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.73 -29.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.13 -7.74 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.794 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.6 38.9 11.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.989 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.0 140.46 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.02 142.77 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.492 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.9 m-85 -134.32 121.59 15.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.86 157.77 41.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.534 2.156 . . . . 0.0 112.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.31 -33.06 51.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.194 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -21.77 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.41 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.645 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -93.61 17.65 11.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.92 -37.76 66.8 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.94 0.4 . . . . 0.0 110.42 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' GLN . . . . . 0.584 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.5 OUTLIER -64.2 -49.58 71.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.296 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 433' ' ' GLU . 4.3 mp -67.82 -34.0 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.8 t80 -65.81 -45.39 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.945 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.62 -44.26 89.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -36.88 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.959 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.453 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.7 t60 -64.08 -47.52 79.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.028 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.25 -33.0 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.449 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.7 OUTLIER -63.15 -44.48 95.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.1 t -54.66 -29.54 52.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.05 -14.36 59.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.248 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 17.0 m -101.83 -15.18 16.99 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.85 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 390' ' ' SER . . . . . 0.414 ' N ' ' CD ' ' A' ' 391' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 390' ' ' SER . 90.6 Cg_endo -84.26 10.86 3.54 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.709 2.272 . . . . 0.0 112.918 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.61 -31.32 66.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.808 0.337 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.82 117.26 17.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.22 49.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.78 7.48 6.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.219 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -118.04 113.85 22.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 8.8 t -106.15 133.01 20.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.79 133.33 27.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.217 1.944 . . . . 0.0 112.014 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.6 mt -78.97 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.87 107.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -60.25 -25.83 65.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.04 -23.11 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.247 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.92 11.07 21.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.98 -168.11 0.35 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.776 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 24.6 mm 69.4 -67.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -176.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.2 117.93 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -26.01 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 82.5 p 50.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.83 -30.55 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.21 -48.08 82.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.66 -32.65 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -36.08 68.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -78.96 167.0 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -146.92 90.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.52 100.64 8.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.21 146.83 71.16 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.362 2.041 . . . . 0.0 112.287 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.03 -23.94 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.574 ' H ' HD22 ' A' ' 418' ' ' LEU . 26.0 p -156.1 165.38 36.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.442 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 72.8 m-85 -138.03 152.28 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.12 115.24 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.3 t -80.25 112.61 32.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.3 -3.39 13.75 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.569 2.18 . . . . 0.0 112.379 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.8 mt -98.24 -28.53 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -125.67 -8.22 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.846 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 62.38 43.18 8.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -113.91 145.76 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.31 140.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.177 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 82.7 m-85 -133.87 119.15 14.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 18.4 Cg_endo -60.67 157.6 36.55 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.36 2.04 . . . . 0.0 111.95 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.39 -24.19 11.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.55 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.458 HG22 ' HB2' ' A' ' 430' ' ' PRO . 9.2 t -81.78 -23.1 36.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.355 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.582 ' HG3' HD12 ' A' ' 436' ' ' ILE . 6.1 tt0 -93.77 17.09 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.801 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -34.34 66.18 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.547 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -64.24 -49.72 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' A' ' 433' ' ' GLU . 24.3 mt -68.63 -33.87 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.923 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.883 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.0 t80 -64.19 -47.2 80.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.844 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -44.17 88.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -66.64 -36.83 83.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.872 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.04 -47.45 80.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.7 t -67.21 -32.88 59.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.946 0.403 . . . . 0.0 110.391 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -43.44 97.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.7 -30.39 55.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.91 49.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 72.4 p -100.84 -15.14 17.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.24 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.3 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.26 -27.87 13.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.559 2.173 . . . . 0.0 112.44 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.68 132.0 28.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.22 130.45 42.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -162.62 136.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.45 -179.21 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -95.4 118.12 31.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 146.48 31.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.92 133.57 46.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.431 2.087 . . . . 0.0 112.192 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.9 pt -105.46 30.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 61.4 m -98.36 -65.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -78.34 -30.38 48.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.29 68.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.41 11.08 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.3 -173.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.3 pt -124.43 90.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 51.0 t -144.67 -70.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -130.55 90.08 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.67 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.1 m 62.66 106.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.52 -33.63 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.05 -33.09 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -72.11 -31.17 65.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.76 -47.12 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.0 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -81.78 82.72 7.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -177.17 6.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.2 109.24 1.75 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.95 162.01 20.36 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.627 2.218 . . . . 0.0 112.29 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.41 -26.43 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.646 ' H ' HD22 ' A' ' 418' ' ' LEU . 40.6 m -152.23 167.77 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.559 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.488 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.14 152.59 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.03 112.93 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.98 112.98 31.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.87 -2.44 12.67 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.422 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.44 -30.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 48.2 m -122.99 -12.55 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.792 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.66 41.38 1.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.886 0.374 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -115.04 146.15 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.14 138.92 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 440' ' ' HIS . 79.1 m-85 -132.38 114.5 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.42 157.73 17.6 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.644 2.229 . . . . 0.0 112.164 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.23 53.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -24.33 61.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.233 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 436' ' ' ILE . 5.6 mt-10 -92.29 16.05 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -54.88 -34.25 62.8 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.907 0.384 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.43 -49.75 70.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.8 mp -68.11 -33.93 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.957 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.0 t80 -64.98 -46.08 82.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.989 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.69 -44.24 90.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.789 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.23 -36.69 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.088 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 429' ' ' PHE . 84.5 t60 -64.76 -47.75 77.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.049 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.81 -32.94 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.5 OUTLIER -62.83 -44.3 96.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -31.05 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.08 -21.92 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.074 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.7 t -93.96 -15.16 25.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 39.5 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.763 0.316 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.36 127.69 13.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.594 2.196 . . . . 0.0 112.381 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 8.1 tp -82.49 -30.98 29.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.73 -171.06 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 394' ' ' ILE . . . . . 0.685 ' O ' HD12 ' A' ' 394' ' ' ILE . 1.3 pp -102.93 154.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 -35.2 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -83.05 131.5 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 146.27 34.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.08 133.36 32.97 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.236 1.957 . . . . 0.0 112.041 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 23.6 mt -150.29 82.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 12.9 t -153.99 -62.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -64.15 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -74.1 -32.55 63.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -106.84 8.4 30.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.403 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.33 -168.31 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.4 pt -61.64 87.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.36 -175.97 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.48 109.09 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -84.04 -37.88 21.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.07 93.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.06 -34.17 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.11 -42.37 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.05 -30.87 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -31.83 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.58 126.58 51.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.5 ttt -109.8 168.49 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -110.25 108.61 58.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.7 141.59 95.44 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.437 2.091 . . . . 0.0 112.246 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.3 OUTLIER -77.77 -6.39 53.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.518 -179.744 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 p -130.09 160.85 32.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 437' ' ' PHE . 77.4 m-85 -131.25 152.44 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -140.18 116.64 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.69 112.96 41.55 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.52 -1.33 11.4 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.292 1.994 . . . . 0.0 112.473 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 -29.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 39.1 m -124.89 -8.11 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.865 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.49 44.43 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 2.8 tttt -115.09 143.76 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.17 138.94 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 84.7 m-85 -132.45 124.43 19.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.38 157.68 56.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.54 2.16 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.71 -27.77 30.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.457 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 55.1 p -79.36 -24.08 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 436' ' ' ILE . 49.8 tt0 -93.8 16.69 13.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.608 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 23.7 ttpt -56.77 -32.31 65.49 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -49.69 71.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.173 0.511 . . . . 0.0 109.976 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 433' ' ' GLU . 41.6 mt -68.44 -33.87 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.797 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.5 t80 -64.07 -47.2 81.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.899 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.58 -44.08 89.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.896 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.09 -36.71 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.879 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.18 -47.55 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.44 -32.94 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -44.58 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.76 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.69 -30.35 55.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.15 -16.35 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.43 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 p -98.41 -15.21 19.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.913 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 390' ' ' SER . . . . . 0.413 ' HB2' ' HD3' ' A' ' 391' ' ' PRO . 1.3 m . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.592 0.234 . . . . 0.0 111.575 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 390' ' ' SER . 61.4 Cg_endo -73.41 110.1 2.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -173.91 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.3 m -111.56 104.81 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.85 96.85 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.32 163.28 35.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -95.52 112.78 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.1 m -92.93 141.77 24.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.21 133.44 52.58 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.318 2.012 . . . . 0.0 112.221 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.457 HG23 ' CE1' ' A' ' 408' ' ' HIS . 22.9 mm -100.9 -64.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.95 -61.24 0.49 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.97 -25.97 3.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.48 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 399' ' ' ILE . . . -62.93 -26.91 69.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.206 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.79 11.13 39.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -129.39 -45.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 407' ' ' ASP . 2.7 pp -143.05 179.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 57.7 m -101.3 -39.41 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' ASP . . . . . 0.498 ' O ' HD13 ' A' ' 405' ' ' ILE . 21.4 t0 -73.89 95.42 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' HIS . . . . . 0.457 ' CE1' HG23 ' A' ' 399' ' ' ILE . 33.6 t60 -83.81 -30.28 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.93 111.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.15 -33.17 74.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.32 -40.38 90.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -73.81 -30.5 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -84.74 -74.6 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.9 tpp -65.41 146.04 55.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 141.99 96.72 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.86 139.87 20.02 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.436 2.091 . . . . 0.0 112.6 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 2.5 mp -88.59 -4.85 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.671 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.46 157.59 40.69 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 428' ' ' ILE . 42.4 m-85 -137.98 151.49 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.276 0.56 . . . . 0.0 112.334 -177.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -140.25 120.39 13.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.3 112.61 47.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.15 -3.83 14.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.626 2.217 . . . . 0.0 112.254 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.5 mt -95.53 -30.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 54.2 m -123.37 -10.61 7.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.788 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.08 38.25 3.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.786 0.327 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.08 136.86 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 420' ' ' PHE . 30.3 mt -97.94 140.93 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.455 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 86.6 m-85 -129.4 123.85 21.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.417 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.08 158.32 55.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.752 2.301 . . . . 0.0 111.661 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.12 -33.37 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.106 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -25.42 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.442 ' HG2' HD12 ' A' ' 436' ' ' ILE . 13.6 mt-10 -95.7 18.01 13.85 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.634 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -56.75 -35.76 68.98 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.04 0.447 . . . . 0.0 110.254 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.27 -49.61 71.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.808 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.442 HD12 ' HG2' ' A' ' 433' ' ' GLU . 4.9 mt -68.04 -33.81 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.916 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.2 t80 -65.04 -47.51 77.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.123 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.985 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -67.22 -36.7 82.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.017 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.455 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -63.84 -47.73 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.2 t -66.92 -32.87 59.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.406 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.49 -44.51 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.59 -30.37 54.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.401 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.14 -23.68 43.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 m -97.61 -15.15 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.637 0.256 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 108.13 2.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.518 2.146 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.5 175.1 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.31 177.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.37 116.98 53.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -133.06 12.28 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.15 121.05 39.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.91 142.36 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.5 133.32 27.66 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.198 1.932 . . . . 0.0 111.956 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 9.2 mt -87.13 -70.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.69 58.65 4.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -82.04 -34.66 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -74.38 -31.03 62.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -23.16 31.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -152.67 133.2 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.77 -32.5 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 98.6 m -78.82 -73.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -106.73 142.83 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.36 -36.02 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 412' ' ' GLN . 2.9 t 43.32 87.48 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.42 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -30.04 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.93 -30.96 64.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.024 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 412' ' ' GLN . . . . . 0.438 ' HB2' HG23 ' A' ' 409' ' ' THR . 0.1 OUTLIER -72.15 -38.18 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.02 -31.8 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -74.38 -49.27 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 3.2 ttt -157.46 157.41 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.14 149.28 82.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.56 162.11 43.63 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.58 2.186 . . . . 0.0 112.284 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.672 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.9 OUTLIER -93.0 -4.72 52.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.66 157.87 39.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 13.4 m-85 -126.3 158.09 36.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.42 0.629 . . . . 0.0 112.523 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -140.4 129.08 22.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.1 t -92.98 113.0 58.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.753 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.33 -0.76 10.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.348 2.032 . . . . 0.0 112.458 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 18.8 mt -101.46 -27.98 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 57.7 m -125.84 -6.25 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.15 42.3 12.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.386 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -115.12 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 35.8 mt -98.02 152.37 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 59.2 m-85 -138.07 122.1 11.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.39 159.0 17.16 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.827 2.351 . . . . 0.0 111.736 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -52.89 -33.31 49.62 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.539 0.209 . . . . 0.0 111.529 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.837 HG23 ' OE1' ' A' ' 433' ' ' GLU . 2.7 t -75.59 -8.47 56.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.356 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.837 ' OE1' HG23 ' A' ' 432' ' ' THR . 0.3 OUTLIER -103.72 18.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -58.36 -42.99 88.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.134 0.492 . . . . 0.0 109.754 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.5 -49.21 72.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.998 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.2 mm -62.57 -39.38 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.259 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.8 t80 -61.88 -47.13 86.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.319 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.0 -42.6 85.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.159 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -36.97 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 109.839 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.8 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 437' ' ' PHE . 0.9 OUTLIER -66.37 -32.84 59.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.412 . . . . 0.0 110.092 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.73 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.56 -30.45 54.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.3 m-70 -79.25 -18.58 52.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.241 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 9.2 p -99.79 -15.17 18.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.327 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.835 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.619 0.247 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -74.67 -28.44 9.81 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.551 2.167 . . . . 0.0 112.427 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.13 161.37 24.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 5.7 t -148.45 23.19 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 27.7 mm 53.61 97.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.314 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -172.43 50.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 134.38 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.99 142.77 32.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.42 133.61 53.92 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.27 1.98 . . . . 0.0 112.18 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 408' ' ' HIS . 3.1 mt 62.71 93.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.83 81.3 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -31.59 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -65.61 -30.62 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -23.12 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.18 136.71 35.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 30.7 mt -109.51 -31.26 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 27.5 p -75.91 -175.48 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.73 118.46 20.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' HIS . . . . . 0.526 ' CE1' HG23 ' A' ' 399' ' ' ILE . 0.1 OUTLIER -70.6 -27.99 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.8 140.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -26.04 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.86 -38.92 73.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -30.67 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -74.76 -45.83 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -58.16 124.37 19.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.28 -169.4 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 75.92 9.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.97 143.2 36.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.589 2.193 . . . . 0.0 112.136 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.681 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.3 OUTLIER -77.65 -5.85 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.57 -179.663 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.7 p -130.0 157.9 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 110.731 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.451 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 77.5 m-85 -127.81 152.59 47.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.99 116.71 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.58 112.61 38.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.45 -4.61 15.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 0.0 112.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 39.2 mt -95.22 -29.64 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.15 -10.56 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.9 0.334 . . . . 0.0 111.9 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.09 42.97 3.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.957 0.408 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -115.06 146.47 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.56 140.36 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 86.7 m-85 -132.45 116.19 15.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.18 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.17 157.75 13.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.117 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.6 -33.14 53.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.161 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.7 p -73.91 -22.39 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.453 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.416 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -92.07 15.85 12.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.992 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -54.95 -35.97 64.81 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.917 0.389 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.21 -49.4 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.827 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.416 HD12 ' HG3' ' A' ' 433' ' ' GLU . 38.9 mt -67.19 -33.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.995 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.886 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -65.56 -47.02 77.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -44.01 89.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.92 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -36.86 83.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.954 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.413 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.13 -47.58 79.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.8 t -67.46 -32.96 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 0.0 110.414 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.75 -42.74 97.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.718 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.77 -30.18 56.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.983 0.421 . . . . 0.0 110.733 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.18 -23.19 44.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.607 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.2 OUTLIER -93.58 -15.19 25.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.171 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.85 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.722 0.296 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.99 121.36 8.08 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.532 2.155 . . . . 0.0 112.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 392' ' ' LEU . 4.0 mm? 60.86 155.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 23.6 p -115.52 179.29 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 394' ' ' ILE . 2.5 tt -78.36 122.27 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -157.83 -73.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -117.9 104.21 10.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.03 122.87 31.73 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.04 133.41 26.82 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.254 1.969 . . . . 0.0 112.074 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 25.0 mt -86.17 -64.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.0 -2.04 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -62.81 -29.53 70.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.83 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.39 -23.06 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.09 135.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 12.1 mt -67.47 -69.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.2 t 56.6 171.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.18 98.01 7.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.23 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.1 m 62.94 146.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.99 -31.57 72.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.12 -47.15 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.6 -29.78 69.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.35 -46.05 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -123.2 107.34 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.36 -3.46 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.467 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 58.93 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.645 0.259 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.88 141.67 95.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.582 2.188 . . . . 0.0 112.194 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.716 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.03 -22.03 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.588 ' H ' HD22 ' A' ' 418' ' ' LEU . 24.4 p -156.15 165.57 36.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.81 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 64.6 m-85 -138.07 151.17 47.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.09 113.02 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.753 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.47 112.95 27.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -1.69 11.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.433 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.47 -29.53 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 47.1 m -124.91 -8.32 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.44 35.64 9.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 140.17 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.1 mp -98.04 145.77 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.48 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.08 115.27 9.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.88 157.54 12.77 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.514 2.143 . . . . 0.0 112.173 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.11 54.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.9 t -74.61 -22.68 58.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.574 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.944 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.0 OUTLIER -91.99 16.27 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.44 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 18.3 tttt -55.16 -33.41 62.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.38 -49.79 70.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 110.006 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.944 HD13 ' HG3' ' A' ' 433' ' ' GLU . 5.3 mp -68.7 -33.86 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.848 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.879 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.9 t80 -64.63 -46.56 82.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.936 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.19 90.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.758 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.92 -36.63 82.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.037 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.457 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.58 78.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.14 -32.95 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.964 0.411 . . . . 0.0 110.504 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -42.94 97.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.597 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.64 -30.42 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.08 -23.39 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.555 ' HB2' HD23 ' A' ' 446' ' ' LEU . 24.8 m -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 445' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.638 0.256 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.97 -32.11 22.66 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.507 2.138 . . . . 0.0 112.331 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.94 -45.12 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 2.5 m -179.72 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.61 146.57 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.44 110.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.81 120.4 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.38 135.63 43.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.36 133.37 51.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.235 1.957 . . . . 0.0 111.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.3 pt -102.45 33.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.76 -45.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -60.67 -28.93 68.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.3 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 404' ' ' ASP . 3.7 t0 -100.23 -9.03 22.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 403' ' ' ASP . 2.4 m-20 84.88 -21.43 0.24 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.609 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 405' ' ' ILE . 6.5 tp -178.82 109.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 110.983 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.49 169.66 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -89.17 89.96 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -39.14 84.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 97.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.55 -32.07 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.07 -48.02 77.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.26 -31.19 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -94.07 146.17 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.6 -166.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -125.36 76.43 68.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.88 149.43 88.51 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.3 OUTLIER -77.64 -10.65 59.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.469 -179.63 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.6 p -129.89 157.96 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.465 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -130.02 150.35 51.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.13 114.16 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.66 112.99 36.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.97 -2.85 13.11 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.289 1.993 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.04 -30.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.186 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 44.2 m -124.18 -12.09 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.833 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.9 t0 67.43 41.8 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.56 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.32 138.12 50.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.03 139.82 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 84.3 m-85 -133.23 117.04 14.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.284 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.42 157.9 20.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.646 2.231 . . . . 0.0 112.012 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.3 -33.23 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.223 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.9 p -72.47 -23.98 61.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.404 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.99 16.31 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -54.99 -34.7 63.61 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.977 0.417 . . . . 0.0 110.382 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.13 -49.7 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.37 -33.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.915 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -64.85 -46.95 79.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.07 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.71 -43.92 90.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -36.76 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.968 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.419 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -64.56 -47.61 78.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.013 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -68.11 -32.93 58.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.88 0.371 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.483 ' HD1' HD21 ' A' ' 446' ' ' LEU . 3.3 m-85 -63.53 -43.62 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.72 -29.81 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.23 -20.91 47.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.726 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.3 OUTLIER -99.3 -15.02 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.195 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.642 0.258 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.11 113.38 3.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 112.259 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.38 175.41 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 51.8 p -102.43 -174.66 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 34.3 pt -120.21 165.08 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.73 30.93 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.03 107.27 13.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 70.0 m -115.88 123.48 31.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.91 133.44 54.73 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.177 1.918 . . . . 0.0 112.08 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 2.3 pt -141.57 83.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 82.4 m -139.43 135.2 33.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.31 -23.01 47.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.03 60.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.468 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -83.81 -20.69 32.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.748 0.309 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ASP . . . . . 0.403 ' O ' ' CG1' ' A' ' 405' ' ' ILE . 1.9 t0 64.75 -171.16 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.003 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' ILE . . . . . 0.403 ' CG1' ' O ' ' A' ' 404' ' ' ASP . 40.1 pt 42.81 31.75 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 22.1 t -150.61 122.41 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.12 97.35 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.84 -29.16 55.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.18 131.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.49 -34.02 76.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.15 -47.91 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -32.66 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -31.36 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -77.43 -42.92 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.72 110.47 22.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -124.4 100.27 35.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.84 155.08 51.4 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.513 2.142 . . . . 0.0 112.229 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.712 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.79 -23.3 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 419' ' ' CYS . . . . . 0.607 ' H ' HD22 ' A' ' 418' ' ' LEU . 57.5 m -150.75 166.62 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' PHE . . . . . 0.47 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 65.5 m-85 -138.05 153.24 49.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 111.285 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.21 112.95 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.61 112.64 28.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.43 -3.96 14.62 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.585 2.19 . . . . 0.0 112.217 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 16.0 mt -95.43 -30.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 55.8 m -123.43 -10.91 7.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.835 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.51 36.25 3.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.65 139.06 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.02 139.1 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' PHE . . . . . 0.473 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 88.2 m-85 -131.7 120.79 17.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.75 157.88 49.56 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.501 2.134 . . . . 0.0 111.972 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.0 51.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.1 p -71.15 -26.05 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.217 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLU . . . . . 0.688 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.2 OUTLIER -92.81 15.88 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.701 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 19.0 tttm -54.87 -32.87 61.28 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.66 -49.81 69.54 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.747 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.688 HD12 ' HG3' ' A' ' 433' ' ' GLU . 11.2 mt -68.94 -33.99 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' PHE . . . . . 0.903 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.1 t80 -64.43 -46.4 83.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.907 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -44.31 90.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -67.09 -36.77 82.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.473 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.3 t60 -64.63 -47.73 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.094 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.58 -32.9 58.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.53 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.33 -44.21 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -30.26 55.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.5 m-70 -79.12 -25.37 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.491 ' C ' HD23 ' A' ' 446' ' ' LEU . 5.0 m -94.09 -15.21 24.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.02 152.06 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.19 112.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.0 t -76.56 112.89 24.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.42 -1.68 11.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.326 2.017 . . . . 0.0 112.346 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.4 -29.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.537 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 51.3 m -124.52 -8.13 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.871 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.62 41.65 7.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.06 139.93 49.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.46 141.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 92.3 m-85 -131.7 116.53 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.75 157.5 12.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.573 2.182 . . . . 0.0 112.27 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.64 -33.21 54.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.0 t -73.91 -22.35 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.437 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.05 18.06 9.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.845 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 13.5 tttt -54.8 -38.59 67.51 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -47.53 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.823 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.1 mm -65.94 -35.4 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.695 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.908 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.9 t80 -65.62 -45.79 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.204 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.47 -44.02 89.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.95 -36.88 83.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.39 -47.49 76.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.6 t -67.75 -32.95 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.194 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.9 -43.23 99.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.6 -30.91 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.537 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 8.0 m-70 -79.18 -16.85 55.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 8.0 m -102.06 -15.15 16.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.906 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.458 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -138.02 151.12 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 112.92 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.9 t -78.7 112.59 28.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -75.17 -4.66 15.69 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.594 2.196 . . . . 0.0 112.253 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.74 -30.93 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.338 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.487 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 47.0 m -122.94 -11.61 8.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.814 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 11.3 t70 67.62 39.12 2.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -114.97 140.82 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.8 mp -97.92 147.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.2 m-85 -138.02 115.97 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 157.39 13.08 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.595 2.196 . . . . 0.0 112.202 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.18 54.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.321 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.9 p -74.32 -22.59 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.501 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.637 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.8 OUTLIER -92.07 16.23 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 66.7 tttt -54.91 -34.2 62.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.96 0.409 . . . . 0.0 110.348 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.43 -49.73 70.37 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.637 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.8 mp -68.09 -34.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.896 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -64.91 -45.9 83.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.917 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -58.7 -44.11 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -67.15 -36.71 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.004 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.452 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.53 -47.5 78.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.062 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.1 -34.7 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.934 0.397 . . . . 0.0 110.457 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.8 OUTLIER -61.8 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.647 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.69 -31.45 57.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.487 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.4 m-70 -79.17 -20.98 47.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 21.9 m -96.06 -15.17 22.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.366 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 31.7 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.507 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 21.9 m-85 -129.69 158.41 39.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.294 0.569 . . . . 0.0 112.109 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.88 127.51 21.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.989 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.35 113.01 60.7 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -0.36 10.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.339 2.026 . . . . 0.0 112.517 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.39 -27.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.495 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 59.4 m -125.14 -8.36 7.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.761 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.26 42.15 15.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 143.02 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.97 149.03 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 69.6 m-85 -135.43 124.68 16.2 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.28 158.47 30.77 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.998 2.465 . . . . 0.0 111.911 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.36 52.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -6.68 53.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.479 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.642 ' HG3' HD13 ' A' ' 436' ' ' ILE . 6.3 tt0 -105.91 18.18 22.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -60.86 -41.12 95.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.115 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.22 -49.44 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.046 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.642 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.6 mp -65.56 -33.9 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.969 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -63.83 -47.25 81.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.897 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.24 -43.34 87.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.846 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.98 -36.84 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.808 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.97 -47.11 81.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.4 t -66.65 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.254 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.583 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.77 -29.83 55.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.495 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.9 m-70 -79.06 -25.97 43.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 42.8 m -92.53 -15.12 27.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.72 0.295 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.449 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.9 m-85 -137.05 151.64 49.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.04 112.92 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.2 112.83 28.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.2 -2.48 12.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.396 2.064 . . . . 0.0 112.409 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 15.8 mt -96.04 -30.38 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.488 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 39.6 m -124.0 -10.77 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.783 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.5 40.38 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.52 140.77 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.94 146.35 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.9 m-85 -138.04 116.29 9.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.89 157.46 12.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.631 2.221 . . . . 0.0 112.271 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.67 -33.3 54.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 4.1 t -74.87 -21.79 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.727 ' OE1' HD13 ' A' ' 436' ' ' ILE . 7.1 mt-10 -91.69 16.29 10.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -54.92 -35.56 64.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.41 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.32 -49.69 70.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 433' ' ' GLU . 2.8 mt -67.41 -34.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.949 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.6 t80 -65.8 -45.64 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.988 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.71 -44.06 90.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.881 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -67.04 -36.85 82.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.076 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.47 -47.48 78.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.027 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.2 -32.94 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.6 OUTLIER -62.76 -43.53 98.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.615 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.65 -31.04 56.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.488 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.3 m-70 -79.07 -19.71 50.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 33.2 p -97.85 -15.1 20.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 45.1 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.446 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 68.2 m-85 -138.01 151.62 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.1 112.89 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.756 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 112.69 26.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . 0.402 ' HD2' HD12 ' A' ' 424' ' ' ILE . 2.9 Cg_exo -74.68 -3.74 14.35 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.549 2.166 . . . . 0.0 112.167 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 423' ' ' PRO . 3.6 mp -96.82 -29.72 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.347 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.416 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 40.3 m -125.19 -7.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.68 36.1 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -108.58 137.52 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -97.93 138.83 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 78.3 m-85 -131.31 123.81 19.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 432' ' ' THR . 32.4 Cg_endo -64.36 157.7 53.03 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.582 2.188 . . . . 0.0 112.028 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.99 51.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 430' ' ' PRO . 5.9 t -71.98 -25.77 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.653 ' HG2' HD13 ' A' ' 436' ' ' ILE . 18.5 mt-10 -92.73 17.01 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -54.84 -33.85 62.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.97 0.414 . . . . 0.0 110.3 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -64.45 -49.68 70.51 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.807 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.653 HD13 ' HG2' ' A' ' 433' ' ' GLU . 3.7 mp -68.22 -34.4 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.935 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.4 t80 -64.89 -45.7 84.82 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.74 -44.16 90.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.814 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.09 -36.78 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.011 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.444 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.01 -47.58 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.58 -32.84 58.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.403 . . . . 0.0 110.445 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.83 -43.73 98.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.681 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.66 -31.2 57.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.05 -19.99 50.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 2.5 m -97.83 -15.21 20.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 44.3 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.463 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 66.4 m-85 -137.98 151.57 48.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.06 112.99 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.742 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.62 113.11 26.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.96 -1.46 11.63 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.325 2.017 . . . . 0.0 112.281 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.61 -29.82 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.3 m -123.88 -8.31 7.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.712 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.66 40.36 7.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -114.99 142.16 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.2 mt -99.12 146.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.4 m-85 -138.07 115.23 9.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 157.31 13.16 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.431 2.087 . . . . 0.0 112.227 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.33 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.313 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -23.14 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.669 ' CG ' HD13 ' A' ' 436' ' ' ILE . 0.1 OUTLIER -92.56 16.5 11.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -32.99 62.16 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.93 0.395 . . . . 0.0 110.431 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.42 -49.77 70.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.883 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.669 HD13 ' CG ' ' A' ' 433' ' ' GLU . 4.0 mp -68.45 -34.06 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.9 t80 -64.57 -46.65 81.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.973 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.82 -44.03 90.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -67.12 -36.75 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.8 t60 -64.52 -47.67 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.33 -32.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 110.384 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -43.74 96.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.764 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.69 -30.34 55.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.6 m-70 -79.2 -20.22 48.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 -15.15 18.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.248 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.737 0.303 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 73.2 m-85 -138.09 154.59 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.19 113.55 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.816 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.65 112.99 28.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.84 -1.22 11.35 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.457 2.105 . . . . 0.0 112.411 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.03 -30.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.497 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 44.5 m -122.86 -10.0 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.744 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 15.5 t70 67.0 37.14 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.812 0.339 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -109.51 146.65 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.89 143.29 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.45 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.5 m-85 -136.64 123.84 14.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.23 157.73 56.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.487 2.125 . . . . 0.0 112.032 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.12 43.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.269 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -25.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.469 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 436' ' ' ILE . 4.6 mt-10 -93.14 16.91 11.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 420' ' ' PHE . 0.2 OUTLIER -54.91 -33.16 61.81 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.293 179.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.45 -49.71 70.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.835 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.4 mt -68.46 -34.75 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.936 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.877 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.8 t80 -64.25 -46.42 83.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.854 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -44.09 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.824 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.91 -36.7 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.961 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.09 -32.84 59.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -43.27 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.67 -30.5 55.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.792 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.497 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.8 m-70 -79.19 -19.78 50.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 63.1 p -96.5 -15.15 21.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.308 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.844 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 429' ' ' PHE . 58.4 m-85 -137.4 153.3 50.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 0.0 111.848 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.11 124.94 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.9 t -89.01 112.67 52.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.95 -3.36 13.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 11.6 mt -99.68 -27.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.378 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 59.9 m -126.7 -7.3 6.2 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.37 43.11 10.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 137.54 51.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 30.0 mt -97.94 143.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.783 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 76.0 m-85 -131.73 119.15 16.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.726 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -59.0 158.8 23.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.774 2.316 . . . . 0.0 111.447 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -52.85 -33.37 49.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 111.298 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.3 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.63 17.91 23.05 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.96 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 7.6 ttpp -55.0 -43.93 74.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 109.723 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.13 -43.97 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.921 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mm -65.57 -37.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.5 t80 -63.32 -47.28 82.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.5 -36.76 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.55 -47.27 76.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.951 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.1 t -66.21 -32.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.94 -41.81 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.3 t -54.82 -29.71 55.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.404 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 9.1 m-70 -79.16 -21.54 46.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.23 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 t -97.91 -15.17 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.165 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.67 0.272 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.448 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.6 m-85 -138.02 152.24 48.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 111.161 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -140.11 113.04 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 48.2 t -76.69 113.29 28.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.09 -1.21 11.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.324 2.016 . . . . 0.0 112.418 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.4 mt -99.51 -29.31 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.504 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -124.02 -8.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.769 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 62.91 40.11 9.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 0.0 OUTLIER -114.91 140.86 48.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.814 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 6.3 mt -97.93 147.19 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.445 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 89.9 m-85 -137.62 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.91 157.42 13.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.461 2.107 . . . . 0.0 112.189 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.13 54.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -21.75 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.544 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 436' ' ' ILE . 2.6 mp0 -92.28 16.38 11.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -54.91 -34.98 63.67 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.931 0.396 . . . . 0.0 110.392 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -64.38 -49.65 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.85 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 433' ' ' GLU . 37.3 mt -67.78 -34.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.938 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -65.48 -46.24 80.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.02 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.61 -44.16 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.0 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.09 -36.82 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.951 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.47 -47.55 78.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.8 -32.85 58.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.88 0.372 . . . . 0.0 110.403 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -43.85 97.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.58 -30.96 55.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.504 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.4 m-70 -79.12 -21.22 46.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -15.19 25.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.793 0.33 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 428' ' ' ILE . 71.0 m-85 -138.01 152.77 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.18 116.37 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.899 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.85 112.9 38.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -77.26 -1.24 11.41 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.35 2.033 . . . . 0.0 112.473 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.04 -30.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.51 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 46.6 m -123.52 -9.91 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.805 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 t70 66.16 40.04 4.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.79 141.62 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.9 mt -100.56 143.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 94.2 m-85 -134.83 125.51 17.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.77 157.68 57.61 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.155 . . . . 0.0 112.097 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.49 -33.02 52.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 49.3 p -72.49 -25.18 61.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.395 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 436' ' ' ILE . 45.1 mt-10 -92.8 17.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.92 -33.77 62.46 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.981 0.42 . . . . 0.0 110.378 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 -49.8 70.14 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.583 HD12 ' HG2' ' A' ' 433' ' ' GLU . 27.4 mt -68.45 -33.9 62.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.867 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.912 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.6 t80 -64.96 -46.13 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.858 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -58.73 -44.15 90.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.855 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.09 -36.76 82.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.154 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.0 t60 -65.1 -47.56 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.45 -32.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.59 -31.37 56.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.51 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.0 m-70 -79.2 -21.92 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.6 m -95.81 -15.21 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 35.3 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 23.7 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.08 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.19 113.0 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.53 112.9 27.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -1.31 11.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.355 2.036 . . . . 0.0 112.435 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.73 -29.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.508 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -124.13 -7.74 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.794 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.6 38.9 11.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.989 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.0 140.46 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.02 142.77 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.492 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.9 m-85 -134.32 121.59 15.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.86 157.77 41.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.534 2.156 . . . . 0.0 112.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.31 -33.06 51.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.194 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -21.77 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.41 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.645 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -93.61 17.65 11.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.92 -37.76 66.8 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.94 0.4 . . . . 0.0 110.42 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . 0.584 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.5 OUTLIER -64.2 -49.58 71.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.296 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 433' ' ' GLU . 4.3 mp -67.82 -34.0 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.8 t80 -65.81 -45.39 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.945 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.62 -44.26 89.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -36.88 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.959 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.453 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.7 t60 -64.08 -47.52 79.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.028 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.25 -33.0 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.449 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.7 OUTLIER -63.15 -44.48 95.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.1 t -54.66 -29.54 52.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.508 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.3 m-70 -79.05 -14.36 59.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.248 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 17.0 m -101.83 -15.18 16.99 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.85 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.442 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 72.8 m-85 -138.03 152.28 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.12 115.24 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.3 t -80.25 112.61 32.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.3 -3.39 13.75 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.569 2.18 . . . . 0.0 112.379 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.8 mt -98.24 -28.53 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 56.9 m -125.67 -8.22 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.846 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 62.38 43.18 8.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -113.91 145.76 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.31 140.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.177 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 82.7 m-85 -133.87 119.15 14.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 18.4 Cg_endo -60.67 157.6 36.55 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.36 2.04 . . . . 0.0 111.95 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.39 -24.19 11.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.55 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.458 HG22 ' HB2' ' A' ' 430' ' ' PRO . 9.2 t -81.78 -23.1 36.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.355 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.582 ' HG3' HD12 ' A' ' 436' ' ' ILE . 6.1 tt0 -93.77 17.09 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.801 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -34.34 66.18 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.547 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -64.24 -49.72 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' A' ' 433' ' ' GLU . 24.3 mt -68.63 -33.87 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.923 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.883 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.0 t80 -64.19 -47.2 80.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.844 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -44.17 88.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -66.64 -36.83 83.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.872 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.04 -47.45 80.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.7 t -67.21 -32.88 59.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.946 0.403 . . . . 0.0 110.391 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -43.44 97.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.7 -30.39 55.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.91 49.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 72.4 p -100.84 -15.14 17.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.24 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.488 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.14 152.59 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.03 112.93 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.98 112.98 31.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.87 -2.44 12.67 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.422 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.44 -30.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.485 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 48.2 m -122.99 -12.55 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.792 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.66 41.38 1.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.886 0.374 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -115.04 146.15 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.14 138.92 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 440' ' ' HIS . 79.1 m-85 -132.38 114.5 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.42 157.73 17.6 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.644 2.229 . . . . 0.0 112.164 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.23 53.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -24.33 61.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.233 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 436' ' ' ILE . 5.6 mt-10 -92.29 16.05 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -54.88 -34.25 62.8 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.907 0.384 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.43 -49.75 70.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.8 mp -68.11 -33.93 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.957 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.0 t80 -64.98 -46.08 82.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.989 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.69 -44.24 90.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.789 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.23 -36.69 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.088 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 429' ' ' PHE . 84.5 t60 -64.76 -47.75 77.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.049 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.81 -32.94 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.5 OUTLIER -62.83 -44.3 96.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -31.05 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.485 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.0 m-70 -79.08 -21.92 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.074 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.7 t -93.96 -15.16 25.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 39.5 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 437' ' ' PHE . 77.4 m-85 -131.25 152.44 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -140.18 116.64 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.69 112.96 41.55 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.52 -1.33 11.4 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.292 1.994 . . . . 0.0 112.473 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 -29.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.509 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 39.1 m -124.89 -8.11 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.865 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.49 44.43 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 2.8 tttt -115.09 143.76 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.17 138.94 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 84.7 m-85 -132.45 124.43 19.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.38 157.68 56.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.54 2.16 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.77 30.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.457 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 55.1 p -79.36 -24.08 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 436' ' ' ILE . 49.8 tt0 -93.8 16.69 13.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.608 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 23.7 ttpt -56.77 -32.31 65.49 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -49.69 71.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.173 0.511 . . . . 0.0 109.976 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 433' ' ' GLU . 41.6 mt -68.44 -33.87 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.797 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.5 t80 -64.07 -47.2 81.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.899 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.58 -44.08 89.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.896 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.09 -36.71 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.879 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.18 -47.55 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.44 -32.94 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -44.58 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.76 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.69 -30.35 55.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.509 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.7 m-70 -79.15 -16.35 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.43 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 p -98.41 -15.21 19.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.913 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 428' ' ' ILE . 42.4 m-85 -137.98 151.49 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.276 0.56 . . . . 0.0 112.334 -177.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.25 120.39 13.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.3 112.61 47.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.15 -3.83 14.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.626 2.217 . . . . 0.0 112.254 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.5 mt -95.53 -30.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.473 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 54.2 m -123.37 -10.61 7.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.788 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.08 38.25 3.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.786 0.327 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.08 136.86 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 420' ' ' PHE . 30.3 mt -97.94 140.93 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.455 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 86.6 m-85 -129.4 123.85 21.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.417 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.08 158.32 55.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.752 2.301 . . . . 0.0 111.661 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.37 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.106 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -25.42 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.442 ' HG2' HD12 ' A' ' 436' ' ' ILE . 13.6 mt-10 -95.7 18.01 13.85 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.634 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -56.75 -35.76 68.98 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.04 0.447 . . . . 0.0 110.254 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.27 -49.61 71.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.808 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.442 HD12 ' HG2' ' A' ' 433' ' ' GLU . 4.9 mt -68.04 -33.81 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.916 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.2 t80 -65.04 -47.51 77.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.123 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.985 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -67.22 -36.7 82.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.017 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.455 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -63.84 -47.73 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.2 t -66.92 -32.87 59.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.406 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.49 -44.51 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.59 -30.37 54.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.473 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 8.2 m-70 -79.14 -23.68 43.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 m -97.61 -15.15 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 13.4 m-85 -126.3 158.09 36.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.42 0.629 . . . . 0.0 112.523 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -140.4 129.08 22.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.1 t -92.98 113.0 58.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.753 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.33 -0.76 10.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.348 2.032 . . . . 0.0 112.458 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 18.8 mt -101.46 -27.98 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 57.7 m -125.84 -6.25 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.825 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.15 42.3 12.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.386 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -115.12 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 35.8 mt -98.02 152.37 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 59.2 m-85 -138.07 122.1 11.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.39 159.0 17.16 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.827 2.351 . . . . 0.0 111.736 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.31 49.62 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.539 0.209 . . . . 0.0 111.529 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.837 HG23 ' OE1' ' A' ' 433' ' ' GLU . 2.7 t -75.59 -8.47 56.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.356 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.837 ' OE1' HG23 ' A' ' 432' ' ' THR . 0.3 OUTLIER -103.72 18.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -58.36 -42.99 88.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.134 0.492 . . . . 0.0 109.754 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.5 -49.21 72.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.998 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.2 mm -62.57 -39.38 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.259 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.8 t80 -61.88 -47.13 86.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.319 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.0 -42.6 85.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.159 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -36.97 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 109.839 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.8 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 437' ' ' PHE . 0.9 OUTLIER -66.37 -32.84 59.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.412 . . . . 0.0 110.092 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.73 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.56 -30.45 54.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.3 m-70 -79.25 -18.58 52.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.241 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 9.2 p -99.79 -15.17 18.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.327 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.835 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.451 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 77.5 m-85 -127.81 152.59 47.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.99 116.71 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.58 112.61 38.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.45 -4.61 15.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 0.0 112.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 39.2 mt -95.22 -29.64 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 55.9 m -124.15 -10.56 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.9 0.334 . . . . 0.0 111.9 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.09 42.97 3.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.957 0.408 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -115.06 146.47 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.56 140.36 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 86.7 m-85 -132.45 116.19 15.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.18 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.17 157.75 13.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.117 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.6 -33.14 53.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.161 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.7 p -73.91 -22.39 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.453 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.416 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -92.07 15.85 12.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.992 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -54.95 -35.97 64.81 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.917 0.389 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.21 -49.4 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.827 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.416 HD12 ' HG3' ' A' ' 433' ' ' GLU . 38.9 mt -67.19 -33.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.995 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.886 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -65.56 -47.02 77.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -44.01 89.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.92 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -36.86 83.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.954 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.413 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.13 -47.58 79.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.8 t -67.46 -32.96 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 0.0 110.414 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.75 -42.74 97.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.718 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.77 -30.18 56.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.983 0.421 . . . . 0.0 110.733 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.18 -23.19 44.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.607 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.2 OUTLIER -93.58 -15.19 25.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.171 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.85 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.862 0.363 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 64.6 m-85 -138.07 151.17 47.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.09 113.02 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.753 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.47 112.95 27.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -1.69 11.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.433 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.47 -29.53 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.421 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 47.1 m -124.91 -8.32 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.775 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.44 35.64 9.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 140.17 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.1 mp -98.04 145.77 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.48 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.08 115.27 9.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.88 157.54 12.77 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.514 2.143 . . . . 0.0 112.173 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.11 54.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.9 t -74.61 -22.68 58.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.574 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.944 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.0 OUTLIER -91.99 16.27 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.44 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 18.3 tttt -55.16 -33.41 62.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.38 -49.79 70.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 110.006 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.944 HD13 ' HG3' ' A' ' 433' ' ' GLU . 5.3 mp -68.7 -33.86 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.848 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.879 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.9 t80 -64.63 -46.56 82.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.936 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.19 90.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.758 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.92 -36.63 82.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.037 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.457 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.58 78.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.14 -32.95 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.964 0.411 . . . . 0.0 110.504 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -42.94 97.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.597 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.64 -30.42 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.08 -23.39 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.555 ' HB2' HD23 ' A' ' 446' ' ' LEU . 24.8 m -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 445' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.465 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -130.02 150.35 51.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.13 114.16 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.66 112.99 36.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.97 -2.85 13.11 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.289 1.993 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.04 -30.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.186 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.42 ' SG ' ' CE1' ' A' ' 444' ' ' HIS . 44.2 m -124.18 -12.09 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.833 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.9 t0 67.43 41.8 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.56 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.32 138.12 50.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.03 139.82 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 84.3 m-85 -133.23 117.04 14.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.284 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.42 157.9 20.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.646 2.231 . . . . 0.0 112.012 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.3 -33.23 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.223 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.9 p -72.47 -23.98 61.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.404 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.99 16.31 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -54.99 -34.7 63.61 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.977 0.417 . . . . 0.0 110.382 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.13 -49.7 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.37 -33.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.915 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -64.85 -46.95 79.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.07 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.71 -43.92 90.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -36.76 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.968 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.419 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -64.56 -47.61 78.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.013 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -68.11 -32.93 58.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.88 0.371 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.483 ' HD1' HD21 ' A' ' 446' ' ' LEU . 3.3 m-85 -63.53 -43.62 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.72 -29.81 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.23 -20.91 47.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.726 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.3 OUTLIER -99.3 -15.02 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.195 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.675 0.274 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' PHE . . . . . 0.47 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 65.5 m-85 -138.05 153.24 49.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 111.285 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.21 112.95 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.61 112.64 28.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.43 -3.96 14.62 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.585 2.19 . . . . 0.0 112.217 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 16.0 mt -95.43 -30.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' CYS . . . . . 0.501 ' HG ' ' CE1' ' A' ' 444' ' ' HIS . 55.8 m -123.43 -10.91 7.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.835 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.51 36.25 3.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.65 139.06 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.02 139.1 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' PHE . . . . . 0.473 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 88.2 m-85 -131.7 120.79 17.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.75 157.88 49.56 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.501 2.134 . . . . 0.0 111.972 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.0 51.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.1 p -71.15 -26.05 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.217 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLU . . . . . 0.688 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.2 OUTLIER -92.81 15.88 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.701 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' LYS . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 19.0 tttm -54.87 -32.87 61.28 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.66 -49.81 69.54 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.747 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' ILE . . . . . 0.688 HD12 ' HG3' ' A' ' 433' ' ' GLU . 11.2 mt -68.94 -33.99 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' PHE . . . . . 0.903 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.1 t80 -64.43 -46.4 83.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.907 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -44.31 90.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -67.09 -36.77 82.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.473 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.3 t60 -64.63 -47.73 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.094 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.58 -32.9 58.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.53 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.33 -44.21 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -30.26 55.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.501 ' CE1' ' HG ' ' A' ' 425' ' ' CYS . 7.5 m-70 -79.12 -25.37 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.491 ' C ' HD23 ' A' ' 446' ' ' LEU . 5.0 m -94.09 -15.21 24.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.651 0.262 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.93 -23.02 14.37 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 5.6 mt 61.51 151.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.8 160.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 394' ' ' ILE . 6.7 tp -70.42 122.46 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.04 96.97 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 134.48 45.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 84.8 m -88.98 129.93 46.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.01 133.37 26.76 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.193 1.928 . . . . 0.0 112.033 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.4 mt -78.1 -42.93 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.81 147.95 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -34.22 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 405' ' ' ILE . . . -69.41 -31.41 69.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.34 -19.26 33.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.46 -27.61 16.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.225 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 405' ' ' ILE . 10.3 tt -82.18 59.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 111.049 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.95 -179.63 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.762 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.92 92.01 8.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -27.55 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 m 64.21 114.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -30.94 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -70.89 -32.95 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.88 -31.26 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -94.12 46.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.1 ttp -154.07 118.45 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -112.46 106.72 55.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.77 161.58 21.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 0.0 112.258 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.69 -22.7 12.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.578 ' H ' HD22 ' A' ' 418' ' ' LEU . 25.7 p -156.1 164.72 38.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.683 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.46 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.02 152.06 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.19 112.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.784 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.0 t -76.56 112.89 24.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.42 -1.68 11.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.326 2.017 . . . . 0.0 112.346 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.4 -29.75 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 51.3 m -124.52 -8.13 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.871 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.62 41.65 7.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.06 139.93 49.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.46 141.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 92.3 m-85 -131.7 116.53 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.75 157.5 12.54 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.573 2.182 . . . . 0.0 112.27 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.64 -33.21 54.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.0 t -73.91 -22.35 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.437 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -93.05 18.06 9.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.845 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 13.5 tttt -54.8 -38.59 67.51 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.17 0.509 . . . . 0.0 110.037 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -47.53 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.823 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.1 mm -65.94 -35.4 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.695 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.908 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.9 t80 -65.62 -45.79 81.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.204 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.47 -44.02 89.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.95 -36.88 83.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.173 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -65.39 -47.49 76.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.6 t -67.75 -32.95 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.194 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.9 -43.23 99.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.6 -30.91 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.18 -16.85 55.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 8.0 m -102.06 -15.15 16.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.906 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.26 62.7 2.68 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 1.8 mt -113.11 -41.45 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 t 57.93 105.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.2 102.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -150.95 -78.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.77 115.55 26.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.5 m -113.93 132.43 22.66 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.03 133.44 26.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.146 1.897 . . . . 0.0 112.069 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.8 -62.55 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.74 -47.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.9 -30.12 50.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.91 -21.3 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.95 -23.04 31.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -78.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 406' ' ' CYS . 6.6 tp -166.88 -43.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.992 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . 0.468 ' N ' HG23 ' A' ' 405' ' ' ILE . 33.0 m -64.21 170.66 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.99 128.23 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -34.68 58.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.01 123.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.97 -37.77 83.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.86 -31.73 70.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.6 -31.95 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -72.22 -38.21 69.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -118.3 102.27 8.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 21.5 ttm -130.02 116.63 18.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 417' ' ' PRO . 30.9 tt0 -140.72 144.14 34.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 416' ' ' GLN . 36.0 Cg_exo -60.83 156.4 43.66 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.472 2.114 . . . . 0.0 112.27 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.701 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.33 -21.51 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.576 ' H ' HD22 ' A' ' 418' ' ' LEU . 25.6 p -156.06 165.02 37.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.712 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.458 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -138.02 151.12 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 112.92 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 45.9 t -78.7 112.59 28.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -75.17 -4.66 15.69 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.594 2.196 . . . . 0.0 112.253 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.6 mp -93.74 -30.93 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.338 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 47.0 m -122.94 -11.61 8.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.814 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 11.3 t70 67.62 39.12 2.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -114.97 140.82 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.8 mp -97.92 147.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.2 m-85 -138.02 115.97 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.88 157.39 13.08 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.595 2.196 . . . . 0.0 112.202 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.69 -33.18 54.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.9 p -74.32 -22.59 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.501 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.637 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.8 OUTLIER -92.07 16.23 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 66.7 tttt -54.91 -34.2 62.86 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.96 0.409 . . . . 0.0 110.348 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.43 -49.73 70.37 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.637 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.8 mp -68.09 -34.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.896 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -64.91 -45.9 83.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.917 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -58.7 -44.11 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -67.15 -36.71 82.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.004 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.452 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.53 -47.5 78.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.062 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.1 -34.7 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.934 0.397 . . . . 0.0 110.457 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.8 OUTLIER -61.8 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.647 179.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.4 t -54.69 -31.45 57.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.17 -20.98 47.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.004 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 21.9 m -96.06 -15.17 22.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.366 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 31.7 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.676 0.274 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.734 ' HG2' HD23 ' A' ' 392' ' ' LEU . 47.3 Cg_endo -68.73 -27.48 31.75 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.465 2.11 . . . . 0.0 112.39 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . 0.734 HD23 ' HG2' ' A' ' 391' ' ' PRO . 0.4 OUTLIER -110.63 157.29 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 33.3 m -153.55 -46.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -85.58 137.51 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.837 ' N ' HD13 ' A' ' 394' ' ' ILE . 0.0 OUTLIER -112.89 124.58 52.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -100.48 120.91 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.96 145.18 46.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.32 133.39 30.25 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.278 1.985 . . . . 0.0 112.01 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.436 ' HA ' ' CE1' ' A' ' 408' ' ' HIS . 20.6 mt 64.48 97.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.2 m -168.65 160.67 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -31.42 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -69.19 -27.92 65.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.51 11.18 22.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 62.4 119.49 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.412 ' O ' HD12 ' A' ' 405' ' ' ILE . 1.5 pp -98.31 31.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 33.5 t -68.89 -67.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.84 90.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 399' ' ' ILE . 0.3 OUTLIER -86.58 -30.13 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.7 m 61.82 105.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -36.32 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.28 -36.15 81.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -31.57 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -47.05 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.2 122.11 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.8 ttt -159.35 -44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -170.97 73.82 0.54 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.54 162.06 43.81 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.571 2.18 . . . . 0.0 112.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.6 OUTLIER -97.62 -5.05 36.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.53 157.81 40.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.917 0.389 . . . . 0.0 110.06 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.507 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 21.9 m-85 -129.69 158.41 39.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.294 0.569 . . . . 0.0 112.109 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.88 127.51 21.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.989 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.35 113.01 60.7 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.753 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.13 -0.36 10.23 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.339 2.026 . . . . 0.0 112.517 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.39 -27.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.14 -8.36 7.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.761 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.26 42.15 15.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.1 143.02 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.97 149.03 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 69.6 m-85 -135.43 124.68 16.2 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.28 158.47 30.77 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.998 2.465 . . . . 0.0 111.911 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.23 -33.36 52.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -6.68 53.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.479 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.642 ' HG3' HD13 ' A' ' 436' ' ' ILE . 6.3 tt0 -105.91 18.18 22.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -60.86 -41.12 95.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.941 0.4 . . . . 0.0 110.115 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -64.22 -49.44 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.046 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.642 HD13 ' HG3' ' A' ' 433' ' ' GLU . 3.6 mp -65.56 -33.9 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.969 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -63.83 -47.25 81.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.897 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.24 -43.34 87.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.846 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.98 -36.84 83.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.808 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.97 -47.11 81.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.4 t -66.65 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.254 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.583 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.77 -29.83 55.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.9 m-70 -79.06 -25.97 43.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 42.8 m -92.53 -15.12 27.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.225 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.597 0.237 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.13 -26.17 42.9 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.443 2.095 . . . . 0.0 112.249 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.16 -46.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.421 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 42.2 t -178.0 121.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 394' ' ' ILE . 6.5 tt -90.33 54.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.27 17.11 9.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.297 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 124.71 48.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 4.1 m -101.8 122.94 45.68 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.11 133.49 26.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.182 1.922 . . . . 0.0 112.043 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 400' ' ' CYS . 18.9 tt -175.97 -40.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . 0.416 ' N ' HG23 ' A' ' 399' ' ' ILE . 1.7 m -158.06 -45.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -29.12 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.62 -36.18 70.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.176 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.32 -23.14 21.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.73 -176.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 405' ' ' ILE . 4.2 mt 59.74 34.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.24 168.23 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -126.19 117.44 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 412' ' ' GLN . 0.0 OUTLIER -85.4 -40.88 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 5.2 p 57.65 170.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.458 HD23 ' HG3' ' A' ' 414' ' ' GLN . 0.1 OUTLIER -63.81 -25.97 68.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.07 -39.78 75.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.047 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . 0.426 ' HB3' ' CE1' ' A' ' 408' ' ' HIS . 8.6 mm-40 -69.53 -35.14 75.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.73 -40.38 55.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . 0.458 ' HG3' HD23 ' A' ' 410' ' ' LEU . 19.9 mt-30 -75.52 153.93 37.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -175.41 146.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -99.56 108.29 49.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 420' ' ' PHE . 39.0 Cg_exo -60.82 151.6 76.0 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 112.183 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.723 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.26 -22.69 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.549 ' H ' HD22 ' A' ' 418' ' ' LEU . 28.0 p -156.04 164.28 38.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.624 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.449 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.9 m-85 -137.05 151.64 49.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.04 112.92 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.7 t -78.2 112.83 28.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.2 -2.48 12.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.396 2.064 . . . . 0.0 112.409 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 15.8 mt -96.04 -30.38 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 39.6 m -124.0 -10.77 7.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.783 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.5 40.38 3.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.52 140.77 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.94 146.35 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 83.9 m-85 -138.04 116.29 9.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.89 157.46 12.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.631 2.221 . . . . 0.0 112.271 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.67 -33.3 54.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.137 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 4.1 t -74.87 -21.79 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.727 ' OE1' HD13 ' A' ' 436' ' ' ILE . 7.1 mt-10 -91.69 16.29 10.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -54.92 -35.56 64.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.41 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.32 -49.69 70.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.727 HD13 ' OE1' ' A' ' 433' ' ' GLU . 2.8 mt -67.41 -34.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.949 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.6 t80 -65.8 -45.64 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.988 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.71 -44.06 90.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.881 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -67.04 -36.85 82.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.076 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.47 -47.48 78.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.027 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.2 -32.94 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.403 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.6 OUTLIER -62.76 -43.53 98.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.615 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.65 -31.04 56.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.07 -19.71 50.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 33.2 p -97.85 -15.1 20.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 45.1 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . 0.43 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 1.5 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.613 0.244 . . . . 0.0 111.593 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 390' ' ' SER . 71.7 Cg_endo -77.38 59.31 6.62 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.464 2.109 . . . . 0.0 112.371 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.07 172.96 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -93.91 -31.41 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 10.8 pt -90.42 146.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.93 31.55 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -117.16 128.87 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 24.2 t -126.93 128.04 24.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 133.43 53.12 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.126 1.884 . . . . 0.0 112.144 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 7.8 pt -142.39 78.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.35 129.67 53.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -63.52 -31.93 73.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.32 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.66 -23.09 20.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.66 147.18 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.3 tt -109.25 -25.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 173.85 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.3 120.8 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -36.06 75.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.81 115.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -31.25 71.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.75 -43.02 85.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.8 -31.15 69.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.17 -45.01 86.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -85.0 163.34 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 ttt -136.53 119.84 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.33 94.9 1.73 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.74 144.59 60.15 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.438 2.092 . . . . 0.0 112.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.701 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.74 -21.64 13.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 418' ' ' LEU . 30.5 p -152.91 164.41 37.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.626 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.446 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 68.2 m-85 -138.01 151.62 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.1 112.89 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.756 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 112.69 26.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . 0.402 ' HD2' HD12 ' A' ' 424' ' ' ILE . 2.9 Cg_exo -74.68 -3.74 14.35 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.549 2.166 . . . . 0.0 112.167 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 423' ' ' PRO . 3.6 mp -96.82 -29.72 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.347 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 40.3 m -125.19 -7.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.68 36.1 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -108.58 137.52 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -97.93 138.83 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 78.3 m-85 -131.31 123.81 19.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . 0.417 ' HB2' HG22 ' A' ' 432' ' ' THR . 32.4 Cg_endo -64.36 157.7 53.03 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.582 2.188 . . . . 0.0 112.028 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.99 51.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 430' ' ' PRO . 5.9 t -71.98 -25.77 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.653 ' HG2' HD13 ' A' ' 436' ' ' ILE . 18.5 mt-10 -92.73 17.01 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -54.84 -33.85 62.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.97 0.414 . . . . 0.0 110.3 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -64.45 -49.68 70.51 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.807 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.653 HD13 ' HG2' ' A' ' 433' ' ' GLU . 3.7 mp -68.22 -34.4 66.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.935 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.4 t80 -64.89 -45.7 84.82 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.74 -44.16 90.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.814 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.09 -36.78 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.011 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.444 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.01 -47.58 79.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.58 -32.84 58.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.403 . . . . 0.0 110.445 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.402 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.83 -43.73 98.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.681 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.66 -31.2 57.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.05 -19.99 50.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 2.5 m -97.83 -15.21 20.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 44.3 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.737 0.303 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.99 -27.54 25.23 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 2.0 mt -166.31 175.75 8.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 53.0 p -153.47 144.78 23.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.29 136.6 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -104.72 -176.91 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -95.96 133.21 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 59.7 m -103.35 142.09 23.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.02 133.36 26.71 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.294 1.996 . . . . 0.0 112.065 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.493 HD11 ' HG3' ' A' ' 413' ' ' GLN . 1.6 pt -115.14 69.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.91 137.21 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -78.05 -28.58 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -65.66 -28.2 68.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.219 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -23.11 24.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.17 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.68 178.78 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.508 ' O ' HD12 ' A' ' 405' ' ' ILE . 2.6 pp -140.9 29.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 28.0 p -136.45 -175.35 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.19 124.62 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 399' ' ' ILE . 17.9 m80 -78.27 -21.75 49.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 3.0 p 62.91 140.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.26 -27.43 69.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.0 -44.81 83.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -72.07 -31.07 65.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . 0.493 ' HG3' HD11 ' A' ' 399' ' ' ILE . 0.0 OUTLIER -68.29 -35.76 78.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.35 163.52 14.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.6 ttp -141.4 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 59.94 88.81 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.78 155.95 46.05 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.575 2.183 . . . . 0.0 112.39 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.713 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.76 -22.51 12.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.033 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.589 ' N ' HD22 ' A' ' 418' ' ' LEU . 30.3 p -145.94 163.81 33.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.463 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 66.4 m-85 -137.98 151.57 48.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.06 112.99 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.742 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.1 t -76.62 113.11 26.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.96 -1.46 11.63 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.325 2.017 . . . . 0.0 112.281 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.61 -29.82 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.3 m -123.88 -8.31 7.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.712 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.66 40.36 7.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -114.99 142.16 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.2 mt -99.12 146.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.4 m-85 -138.07 115.23 9.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 157.31 13.16 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.431 2.087 . . . . 0.0 112.227 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.75 -33.33 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.313 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -23.14 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.669 ' CG ' HD13 ' A' ' 436' ' ' ILE . 0.1 OUTLIER -92.56 16.5 11.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -32.99 62.16 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 120.93 0.395 . . . . 0.0 110.431 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.42 -49.77 70.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.883 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.669 HD13 ' CG ' ' A' ' 433' ' ' GLU . 4.0 mp -68.45 -34.06 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.9 t80 -64.57 -46.65 81.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.973 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.82 -44.03 90.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -67.12 -36.75 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.8 t60 -64.52 -47.67 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.33 -32.93 59.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 110.384 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -43.74 96.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.764 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.69 -30.34 55.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.6 m-70 -79.2 -20.22 48.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 -15.15 18.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.248 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.31 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.585 2.19 . . . . 0.0 112.674 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 392' ' ' LEU . 3.8 mp -54.92 -31.47 60.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.308 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.73 129.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.88 92.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -33.79 66.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.5 130.37 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.57 135.31 20.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.32 133.47 43.51 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.16 1.907 . . . . 0.0 112.048 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.829 HD13 ' O ' ' A' ' 399' ' ' ILE . 0.0 OUTLIER -74.94 -33.6 30.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.5 m -162.98 96.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.39 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.76 11.04 21.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.9 t0 57.53 -179.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.323 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.564 ' O ' HG23 ' A' ' 405' ' ' ILE . 0.7 OUTLIER -121.9 112.39 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.89 -67.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -128.91 114.18 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.52 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.9 p 62.24 142.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 14.3 tp -65.07 -28.42 69.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.26 -43.01 82.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.037 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -66.62 -31.45 72.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -68.51 -46.83 68.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -80.05 91.52 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 49.6 tpp -164.22 56.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 110.3 52.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.83 146.98 96.65 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.466 2.111 . . . . 0.0 112.239 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.58 -25.62 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.641 ' H ' HD22 ' A' ' 418' ' ' LEU . 57.6 m -151.64 166.97 29.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 73.2 m-85 -138.09 154.59 49.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.19 113.55 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.816 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.65 112.99 28.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.84 -1.22 11.35 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.457 2.105 . . . . 0.0 112.411 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.03 -30.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 44.5 m -122.86 -10.0 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.744 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 15.5 t70 67.0 37.14 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.812 0.339 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -109.51 146.65 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.89 143.29 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.45 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.5 m-85 -136.64 123.84 14.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.23 157.73 56.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.487 2.125 . . . . 0.0 112.032 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.41 -31.12 43.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.269 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -25.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.469 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 436' ' ' ILE . 4.6 mt-10 -93.14 16.91 11.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 420' ' ' PHE . 0.2 OUTLIER -54.91 -33.16 61.81 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.93 0.395 . . . . 0.0 110.293 179.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.45 -49.71 70.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.835 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.4 mt -68.46 -34.75 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.936 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.877 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.8 t80 -64.25 -46.42 83.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.854 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -44.09 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.824 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -66.91 -36.7 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.961 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.51 79.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.09 -32.84 59.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -43.27 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.719 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.67 -30.5 55.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.792 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.78 50.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 63.1 p -96.5 -15.15 21.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.308 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.844 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.674 0.273 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 90.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.646 2.231 . . . . 0.0 112.18 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.03 167.84 12.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 93.4 p -60.2 -174.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.3 pt -99.23 32.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -153.16 112.27 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.88 133.35 48.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.58 132.67 21.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.058 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.99 133.54 27.24 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.199 1.933 . . . . 0.0 111.956 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.618 ' O ' HD12 ' A' ' 399' ' ' ILE . 1.3 pp -82.59 56.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.074 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 36.8 t -86.13 117.53 25.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -31.38 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.74 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.17 4.41 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.412 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.95 -177.36 3.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 405' ' ' ILE . 3.3 mp -76.65 -63.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 12.0 t -175.53 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 98.67 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.07 -36.04 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 m 63.07 121.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -31.15 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -37.59 78.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -69.02 -32.21 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -71.67 -34.46 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.06 175.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.5 tpp -77.62 131.12 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 417' ' ' PRO . 13.8 mt-30 -67.5 137.85 93.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 416' ' ' GLN . 35.1 Cg_exo -60.8 142.76 98.61 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.387 2.058 . . . . 0.0 112.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 3.7 mp -77.64 -5.4 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.691 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.1 p -129.25 157.47 41.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 429' ' ' PHE . 58.4 m-85 -137.4 153.3 50.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.184 0.516 . . . . 0.0 111.848 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.11 124.94 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.9 t -89.01 112.67 52.33 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.95 -3.36 13.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 11.6 mt -99.68 -27.03 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.378 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 59.9 m -126.7 -7.3 6.2 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.37 43.11 10.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 137.54 51.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 30.0 mt -97.94 143.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.783 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.471 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 76.0 m-85 -131.73 119.15 16.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.726 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -59.0 158.8 23.8 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.774 2.316 . . . . 0.0 111.447 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -52.85 -33.37 49.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.699 0.285 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.3 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.63 17.91 23.05 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.96 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 7.6 ttpp -55.0 -43.93 74.06 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.146 0.498 . . . . 0.0 109.723 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.13 -43.97 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.921 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.0 mm -65.57 -37.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.887 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.5 t80 -63.32 -47.28 82.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.5 -36.76 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.55 -47.27 76.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.951 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.1 t -66.21 -32.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 0.0 110.164 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.94 -41.81 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.643 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.3 t -54.82 -29.71 55.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.404 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 9.1 m-70 -79.16 -21.54 46.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.23 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 t -97.91 -15.17 20.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.165 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.745 0.307 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 97.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.601 2.201 . . . . 0.0 112.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 7.6 tt -79.34 148.48 32.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.93 155.56 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.81 -32.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 140.89 50.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 127.04 52.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 123.11 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.34 133.49 56.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.095 1.863 . . . . 0.0 112.033 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 27.0 mt -124.13 -52.16 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 42.6 t -111.78 -34.16 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -59.29 -30.4 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.38 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.229 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.96 -23.1 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -177.62 175.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 3.7 pt -82.82 76.36 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.31 162.8 29.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.06 117.28 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.11 -31.47 70.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.65 128.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.61 -38.63 81.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -31.54 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -33.03 72.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -137.71 68.14 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 6.3 ttm -70.71 172.0 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -59.43 136.66 89.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.64 144.0 31.08 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.592 2.195 . . . . 0.0 112.395 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.704 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.68 -21.45 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.979 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.585 ' N ' HD22 ' A' ' 418' ' ' LEU . 27.7 p -154.92 165.02 38.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.597 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.448 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 72.6 m-85 -138.02 152.24 48.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 111.161 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -140.11 113.04 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 48.2 t -76.69 113.29 28.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -77.09 -1.21 11.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.324 2.016 . . . . 0.0 112.418 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.4 mt -99.51 -29.31 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.02 -8.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.769 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 62.91 40.11 9.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 0.0 OUTLIER -114.91 140.86 48.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.814 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 420' ' ' PHE . 6.3 mt -97.93 147.19 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.445 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 89.9 m-85 -137.62 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.91 157.42 13.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.461 2.107 . . . . 0.0 112.189 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 418' ' ' LEU . . . -53.76 -33.13 54.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -21.75 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.544 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 436' ' ' ILE . 2.6 mp0 -92.28 16.38 11.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -54.91 -34.98 63.67 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.931 0.396 . . . . 0.0 110.392 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -64.38 -49.65 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.85 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 433' ' ' GLU . 37.3 mt -67.78 -34.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.938 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -65.48 -46.24 80.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.02 179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.61 -44.16 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.0 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.09 -36.82 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.951 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.6 t60 -64.47 -47.55 78.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.069 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.8 -32.85 58.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.88 0.372 . . . . 0.0 110.403 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -43.85 97.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.716 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.58 -30.96 55.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.4 m-70 -79.12 -21.22 46.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -15.19 25.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.704 0.287 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.87 123.26 8.81 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.288 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 6.0 mp -92.68 153.71 18.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.3 167.58 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 14.9 tt -77.36 158.75 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.06 40.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 126.0 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.35 138.04 28.82 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.77 133.39 29.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.284 1.989 . . . . 0.0 112.036 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 17.8 tt -108.27 -31.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.55 39.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -29.0 57.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -75.67 -30.55 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.92 -23.1 14.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -134.7 172.7 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 406' ' ' CYS . 1.1 tp -174.52 -40.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 405' ' ' ILE . 0.5 OUTLIER -85.31 -62.96 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.51 97.3 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -87.09 -30.95 20.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.28 96.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 410' ' ' LEU . 3.6 mp -63.26 -33.38 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.47 -33.52 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -65.99 -35.04 79.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.94 -42.58 23.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.006 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.83 170.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.6 tpp -118.32 99.59 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.53 163.48 24.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 420' ' ' PHE . 37.3 Cg_exo -60.78 145.75 98.47 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.715 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -105.09 -20.28 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.498 ' N ' HD22 ' A' ' 418' ' ' LEU . 30.4 p -155.87 164.13 38.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.667 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 428' ' ' ILE . 71.0 m-85 -138.01 152.77 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.18 116.37 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.899 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.85 112.9 38.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -77.26 -1.24 11.41 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.35 2.033 . . . . 0.0 112.473 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.7 mt -98.04 -30.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 46.6 m -123.52 -9.91 7.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.805 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.9 t70 66.16 40.04 4.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.79 141.62 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 420' ' ' PHE . 3.9 mt -100.56 143.76 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 94.2 m-85 -134.83 125.51 17.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.77 157.68 57.61 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.532 2.155 . . . . 0.0 112.097 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.49 -33.02 52.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 49.3 p -72.49 -25.18 61.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.395 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 436' ' ' ILE . 45.1 mt-10 -92.8 17.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.92 -33.77 62.46 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.981 0.42 . . . . 0.0 110.378 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -64.39 -49.8 70.14 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.583 HD12 ' HG2' ' A' ' 433' ' ' GLU . 27.4 mt -68.45 -33.9 62.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.867 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.912 ' O ' HG23 ' A' ' 441' ' ' VAL . 13.6 t80 -64.96 -46.13 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.858 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -58.73 -44.15 90.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.855 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.09 -36.76 82.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.154 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.414 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.0 t60 -65.1 -47.56 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -68.45 -32.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 1.1 m-85 -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.59 -31.37 56.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.2 -21.92 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 5.6 m -95.81 -15.21 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 35.3 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.636 0.255 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -51.64 109.63 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.606 2.204 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 2.3 mt -118.53 -72.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.6 88.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 394' ' ' ILE . 5.8 tt -166.06 51.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.75 126.51 54.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -90.18 106.67 18.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.26 134.34 19.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.07 133.34 26.58 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.222 1.948 . . . . 0.0 112.1 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 399' ' ' ILE . 4.7 tp -141.96 74.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.02 113.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -33.67 55.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -79.57 -33.22 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.0 11.1 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.35 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.62 149.85 42.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 6.8 tp -171.69 145.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.039 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 18.4 m -57.56 -50.7 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -91.03 101.62 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . 0.4 ' CE1' HG12 ' A' ' 399' ' ' ILE . 4.5 t60 -74.62 -31.31 61.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.2 143.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.97 -27.99 69.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -41.54 98.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.998 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -68.18 -34.65 76.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.65 -44.62 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 63.0 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.9 ptt? 178.21 81.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.35 133.78 7.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.01 146.64 25.92 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 112.358 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.718 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.71 -23.02 12.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.999 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.601 ' H ' HD22 ' A' ' 418' ' ' LEU . 23.7 p -156.16 166.46 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.749 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.08 152.27 48.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.19 113.0 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.53 112.9 27.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -1.31 11.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.355 2.036 . . . . 0.0 112.435 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.73 -29.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -124.13 -7.74 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.794 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.6 38.9 11.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.963 0.411 . . . . 0.0 110.989 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.0 140.46 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.02 142.77 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.492 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 80.9 m-85 -134.32 121.59 15.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.86 157.77 41.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.534 2.156 . . . . 0.0 112.046 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.31 -33.06 51.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.194 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -21.77 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.41 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.645 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -93.61 17.65 11.35 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.92 -37.76 66.8 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.94 0.4 . . . . 0.0 110.42 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . 0.584 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.5 OUTLIER -64.2 -49.58 71.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.296 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.645 HD13 ' HG3' ' A' ' 433' ' ' GLU . 4.3 mp -67.82 -34.0 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.951 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.8 t80 -65.81 -45.39 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.945 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.62 -44.26 89.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -36.88 82.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.959 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.453 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.7 t60 -64.08 -47.52 79.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.028 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.25 -33.0 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.449 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.7 OUTLIER -63.15 -44.48 95.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.933 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.1 t -54.66 -29.54 52.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.3 m-70 -79.05 -14.36 59.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.248 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 17.0 m -101.83 -15.18 16.99 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.85 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . 0.414 ' N ' ' CD ' ' A' ' 391' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.646 0.26 . . . . 0.0 111.383 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 390' ' ' SER . 90.6 Cg_endo -84.26 10.86 3.54 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.709 2.272 . . . . 0.0 112.918 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.61 -31.32 66.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.808 0.337 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.82 117.26 17.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.22 49.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.78 7.48 6.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.219 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -118.04 113.85 22.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 8.8 t -106.15 133.01 20.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.79 133.33 27.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.217 1.944 . . . . 0.0 112.014 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.6 mt -78.97 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.87 107.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -60.25 -25.83 65.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -70.04 -23.11 63.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.247 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.92 11.07 21.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.539 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.98 -168.11 0.35 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.776 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 24.6 mm 69.4 -67.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -176.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.2 117.93 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -26.01 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 82.5 p 50.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.83 -30.55 69.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.21 -48.08 82.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.66 -32.65 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -36.08 68.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -78.96 167.0 21.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -146.92 90.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.52 100.64 8.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.21 146.83 71.16 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.362 2.041 . . . . 0.0 112.287 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.03 -23.94 12.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.574 ' H ' HD22 ' A' ' 418' ' ' LEU . 26.0 p -156.1 165.38 36.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.442 ' HB3' ' CE2' ' A' ' 437' ' ' PHE . 72.8 m-85 -138.03 152.28 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.12 115.24 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 44.3 t -80.25 112.61 32.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.754 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.3 -3.39 13.75 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.569 2.18 . . . . 0.0 112.379 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 7.8 mt -98.24 -28.53 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.374 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 56.9 m -125.67 -8.22 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.846 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 62.38 43.18 8.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -113.91 145.76 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.31 140.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.177 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.454 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 82.7 m-85 -133.87 119.15 14.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.784 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 18.4 Cg_endo -60.67 157.6 36.55 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.36 2.04 . . . . 0.0 111.95 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.39 -24.19 11.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.55 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.458 HG22 ' HB2' ' A' ' 430' ' ' PRO . 9.2 t -81.78 -23.1 36.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 0.0 110.355 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.582 ' HG3' HD12 ' A' ' 436' ' ' ILE . 6.1 tt0 -93.77 17.09 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.801 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -34.34 66.18 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.547 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -64.24 -49.72 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.582 HD12 ' HG3' ' A' ' 433' ' ' GLU . 24.3 mt -68.63 -33.87 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.923 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.883 ' O ' HG23 ' A' ' 441' ' ' VAL . 10.0 t80 -64.19 -47.2 80.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.844 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.38 -44.17 88.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -66.64 -36.83 83.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.872 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.04 -47.45 80.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.7 t -67.21 -32.88 59.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.946 0.403 . . . . 0.0 110.391 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -43.44 97.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.7 -30.39 55.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.8 m-70 -79.19 -19.91 49.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 72.4 p -100.84 -15.14 17.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.24 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.3 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.26 -27.87 13.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.559 2.173 . . . . 0.0 112.44 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.68 132.0 28.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.819 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.22 130.45 42.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -162.62 136.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.45 -179.21 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -95.4 118.12 31.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 146.48 31.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.92 133.57 46.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.431 2.087 . . . . 0.0 112.192 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.9 pt -105.46 30.17 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 61.4 m -98.36 -65.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -78.34 -30.38 48.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.29 68.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.41 11.08 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.3 -173.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.3 pt -124.43 90.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 51.0 t -144.67 -70.55 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -130.55 90.08 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.67 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.1 m 62.66 106.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.52 -33.63 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.05 -33.09 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -72.11 -31.17 65.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.76 -47.12 73.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.0 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -81.78 82.72 7.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -177.17 6.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.2 109.24 1.75 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.95 162.01 20.36 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.627 2.218 . . . . 0.0 112.29 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.41 -26.43 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.646 ' H ' HD22 ' A' ' 418' ' ' LEU . 40.6 m -152.23 167.77 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.559 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.488 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 67.3 m-85 -138.14 152.59 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -140.03 112.93 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.98 112.98 31.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.87 -2.44 12.67 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.422 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.44 -30.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 48.2 m -122.99 -12.55 7.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.792 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.66 41.38 1.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.886 0.374 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -115.04 146.15 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.14 138.92 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 440' ' ' HIS . 79.1 m-85 -132.38 114.5 14.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.42 157.73 17.6 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.644 2.229 . . . . 0.0 112.164 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.23 53.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -24.33 61.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.233 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 436' ' ' ILE . 5.6 mt-10 -92.29 16.05 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -54.88 -34.25 62.8 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.907 0.384 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.43 -49.75 70.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 433' ' ' GLU . 2.8 mp -68.11 -33.93 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.957 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.898 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.0 t80 -64.98 -46.08 82.98 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.989 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.69 -44.24 90.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.789 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -67.23 -36.69 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.088 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 429' ' ' PHE . 84.5 t60 -64.76 -47.75 77.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.049 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.81 -32.94 58.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.016 0.436 . . . . 0.0 110.451 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' A' ' 446' ' ' LEU . 0.5 OUTLIER -62.83 -44.3 96.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.714 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -31.05 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.969 0.414 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.0 m-70 -79.08 -21.92 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.074 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.7 t -93.96 -15.16 25.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 442' ' ' PHE . 39.5 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.763 0.316 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.36 127.69 13.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.594 2.196 . . . . 0.0 112.381 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 8.1 tp -82.49 -30.98 29.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.73 -171.06 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . 0.685 ' O ' HD12 ' A' ' 394' ' ' ILE . 1.3 pp -102.93 154.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 -35.2 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -83.05 131.5 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 146.27 34.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.08 133.36 32.97 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.236 1.957 . . . . 0.0 112.041 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 23.6 mt -150.29 82.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 12.9 t -153.99 -62.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -64.15 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -74.1 -32.55 63.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -106.84 8.4 30.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.403 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.33 -168.31 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 2.4 pt -61.64 87.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.36 -175.97 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.48 109.09 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -84.04 -37.88 21.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.07 93.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.06 -34.17 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.11 -42.37 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -72.05 -30.87 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -31.83 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.58 126.58 51.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.5 ttt -109.8 168.49 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -110.25 108.61 58.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.7 141.59 95.44 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.437 2.091 . . . . 0.0 112.246 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.3 OUTLIER -77.77 -6.39 53.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.518 -179.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 p -130.09 160.85 32.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 110.649 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 437' ' ' PHE . 77.4 m-85 -131.25 152.44 50.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -140.18 116.64 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.69 112.96 41.55 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.52 -1.33 11.4 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.292 1.994 . . . . 0.0 112.473 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.83 -29.71 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 39.1 m -124.89 -8.11 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.865 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.49 44.43 7.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 429' ' ' PHE . 2.8 tttt -115.09 143.76 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.1 mt -102.17 138.94 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 84.7 m-85 -132.45 124.43 19.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 433' ' ' GLU . 36.9 Cg_endo -65.38 157.68 56.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.54 2.16 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.71 -27.77 30.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.457 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 55.1 p -79.36 -24.08 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 436' ' ' ILE . 49.8 tt0 -93.8 16.69 13.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.608 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 23.7 ttpt -56.77 -32.31 65.49 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -49.69 71.11 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.173 0.511 . . . . 0.0 109.976 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 433' ' ' GLU . 41.6 mt -68.44 -33.87 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.797 178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.889 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.5 t80 -64.07 -47.2 81.06 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.899 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.58 -44.08 89.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.896 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.09 -36.71 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.879 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.18 -47.55 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -67.44 -32.94 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.394 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -44.58 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.76 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.69 -30.35 55.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.15 -16.35 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.43 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 p -98.41 -15.21 19.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.913 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . 0.413 ' HB2' ' HD3' ' A' ' 391' ' ' PRO . 1.3 m . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.592 0.234 . . . . 0.0 111.575 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 390' ' ' SER . 61.4 Cg_endo -73.41 110.1 2.99 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.154 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -173.91 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.3 m -111.56 104.81 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.85 96.85 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.32 163.28 35.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -95.52 112.78 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 10.1 m -92.93 141.77 24.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.21 133.44 52.58 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.318 2.012 . . . . 0.0 112.221 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.457 HG23 ' CE1' ' A' ' 408' ' ' HIS . 22.9 mm -100.9 -64.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.95 -61.24 0.49 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.97 -25.97 3.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.48 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 399' ' ' ILE . . . -62.93 -26.91 69.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.206 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.79 11.13 39.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -129.39 -45.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 407' ' ' ASP . 2.7 pp -143.05 179.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 57.7 m -101.3 -39.41 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . 0.498 ' O ' HD13 ' A' ' 405' ' ' ILE . 21.4 t0 -73.89 95.42 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . 0.457 ' CE1' HG23 ' A' ' 399' ' ' ILE . 33.6 t60 -83.81 -30.28 26.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.93 111.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.15 -33.17 74.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.32 -40.38 90.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -73.81 -30.5 62.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -84.74 -74.6 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.9 tpp -65.41 146.04 55.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 141.99 96.72 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.756 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.86 139.87 20.02 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.436 2.091 . . . . 0.0 112.6 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 2.5 mp -88.59 -4.85 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.671 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.46 157.59 40.69 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 428' ' ' ILE . 42.4 m-85 -137.98 151.49 47.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.276 0.56 . . . . 0.0 112.334 -177.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.25 120.39 13.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.3 112.61 47.23 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.15 -3.83 14.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.626 2.217 . . . . 0.0 112.254 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.5 mt -95.53 -30.27 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 54.2 m -123.37 -10.61 7.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.788 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.08 38.25 3.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.786 0.327 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.08 136.86 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 420' ' ' PHE . 30.3 mt -97.94 140.93 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.455 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 86.6 m-85 -129.4 123.85 21.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.417 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.08 158.32 55.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.752 2.301 . . . . 0.0 111.661 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.12 -33.37 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.699 0.285 . . . . 0.0 111.106 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -25.42 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.442 ' HG2' HD12 ' A' ' 436' ' ' ILE . 13.6 mt-10 -95.7 18.01 13.85 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.634 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -56.75 -35.76 68.98 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.04 0.447 . . . . 0.0 110.254 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.27 -49.61 71.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.808 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.442 HD12 ' HG2' ' A' ' 433' ' ' GLU . 4.9 mt -68.04 -33.81 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.916 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.2 t80 -65.04 -47.51 77.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.123 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.85 -44.34 90.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.985 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -67.22 -36.7 82.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.017 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.455 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -63.84 -47.73 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.2 t -66.92 -32.87 59.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.406 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.49 -44.51 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.59 -30.37 54.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.401 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.14 -23.68 43.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 1.1 m -97.61 -15.15 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.068 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.637 0.256 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 108.13 2.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.518 2.146 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.5 175.1 9.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.31 177.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.37 116.98 53.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -133.06 12.28 4.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.15 121.05 39.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.91 142.36 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.5 133.32 27.66 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.198 1.932 . . . . 0.0 111.956 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 9.2 mt -87.13 -70.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.69 58.65 4.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -82.04 -34.66 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -74.38 -31.03 62.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -23.16 31.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -152.67 133.2 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.77 -32.5 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 98.6 m -78.82 -73.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -106.73 142.83 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.36 -36.02 22.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 412' ' ' GLN . 2.9 t 43.32 87.48 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.42 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -30.04 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.93 -30.96 64.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.024 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . 0.438 ' HB2' HG23 ' A' ' 409' ' ' THR . 0.1 OUTLIER -72.15 -38.18 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.02 -31.8 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -74.38 -49.27 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 3.2 ttt -157.46 157.41 33.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -61.14 149.28 82.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.56 162.11 43.63 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.58 2.186 . . . . 0.0 112.284 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.672 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.9 OUTLIER -93.0 -4.72 52.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.66 157.87 39.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.504 ' CD2' ' CD2' ' A' ' 437' ' ' PHE . 13.4 m-85 -126.3 158.09 36.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.42 0.629 . . . . 0.0 112.523 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -140.4 129.08 22.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.1 t -92.98 113.0 58.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.753 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.33 -0.76 10.72 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.348 2.032 . . . . 0.0 112.458 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 18.8 mt -101.46 -27.98 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 57.7 m -125.84 -6.25 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.15 42.3 12.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.386 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -115.12 139.16 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 35.8 mt -98.02 152.37 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 59.2 m-85 -138.07 122.1 11.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.39 159.0 17.16 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.827 2.351 . . . . 0.0 111.736 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -52.89 -33.31 49.62 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.539 0.209 . . . . 0.0 111.529 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.837 HG23 ' OE1' ' A' ' 433' ' ' GLU . 2.7 t -75.59 -8.47 56.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.356 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.837 ' OE1' HG23 ' A' ' 432' ' ' THR . 0.3 OUTLIER -103.72 18.09 22.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -58.36 -42.99 88.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.134 0.492 . . . . 0.0 109.754 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.5 -49.21 72.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.998 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 436' ' ' ILE . 2.2 mm -62.57 -39.38 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.259 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.8 t80 -61.88 -47.13 86.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.319 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.0 -42.6 85.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.159 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -36.97 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.135 0.493 . . . . 0.0 109.839 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.8 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 437' ' ' PHE . 0.9 OUTLIER -66.37 -32.84 59.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.412 . . . . 0.0 110.092 179.448 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.3 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.73 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.56 -30.45 54.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.3 m-70 -79.25 -18.58 52.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.241 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 9.2 p -99.79 -15.17 18.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.327 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.835 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.619 0.247 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -74.67 -28.44 9.81 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.551 2.167 . . . . 0.0 112.427 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 6.0 mt -81.13 161.37 24.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 5.7 t -148.45 23.19 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 27.7 mm 53.61 97.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.314 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -172.43 50.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 134.38 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.99 142.77 32.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.42 133.61 53.92 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.27 1.98 . . . . 0.0 112.18 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.526 HG23 ' CE1' ' A' ' 408' ' ' HIS . 3.1 mt 62.71 93.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.83 81.3 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -31.59 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -65.61 -30.62 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -23.12 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.18 136.71 35.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 30.7 mt -109.51 -31.26 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 27.5 p -75.91 -175.48 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.73 118.46 20.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . 0.526 ' CE1' HG23 ' A' ' 399' ' ' ILE . 0.1 OUTLIER -70.6 -27.99 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.8 140.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.408 HD23 HE21 ' A' ' 414' ' ' GLN . 0.5 OUTLIER -60.98 -26.04 67.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.86 -38.92 73.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.984 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -30.67 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -74.76 -45.83 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . 0.408 HE21 HD23 ' A' ' 410' ' ' LEU . 6.7 pt20 -58.16 124.37 19.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.28 -169.4 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.84 75.92 9.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.97 143.2 36.05 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.589 2.193 . . . . 0.0 112.136 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.681 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.3 OUTLIER -77.65 -5.85 51.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.57 -179.663 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.7 p -130.0 157.9 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 110.731 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.451 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 77.5 m-85 -127.81 152.59 47.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.99 116.71 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.58 112.61 38.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.45 -4.61 15.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.503 2.136 . . . . 0.0 112.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 39.2 mt -95.22 -29.64 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.15 -10.56 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.9 0.334 . . . . 0.0 111.9 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.09 42.97 3.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.957 0.408 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -115.06 146.47 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.56 140.36 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 420' ' ' PHE . 86.7 m-85 -132.45 116.19 15.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.18 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.17 157.75 13.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.117 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.6 -33.14 53.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.161 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.7 p -73.91 -22.39 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.453 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.416 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.3 OUTLIER -92.07 15.85 12.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.992 179.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -54.95 -35.97 64.81 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.917 0.389 . . . . 0.0 110.272 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.21 -49.4 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.827 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.416 HD12 ' HG3' ' A' ' 433' ' ' GLU . 38.9 mt -67.19 -33.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.995 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.886 ' O ' HG23 ' A' ' 441' ' ' VAL . 11.8 t80 -65.56 -47.02 77.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -44.01 89.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.92 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -36.86 83.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.954 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.413 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.2 t60 -64.13 -47.58 79.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.8 t -67.46 -32.96 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.012 0.434 . . . . 0.0 110.414 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.75 -42.74 97.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.718 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.6 t -54.77 -30.18 56.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.983 0.421 . . . . 0.0 110.733 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.2 m-70 -79.18 -23.19 44.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.607 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.2 OUTLIER -93.58 -15.19 25.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.171 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.85 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.722 0.296 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.99 121.36 8.08 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.532 2.155 . . . . 0.0 112.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 392' ' ' LEU . 4.0 mm? 60.86 155.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 23.6 p -115.52 179.29 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 394' ' ' ILE . 2.5 tt -78.36 122.27 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -157.83 -73.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -117.9 104.21 10.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.03 122.87 31.73 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.04 133.41 26.82 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.254 1.969 . . . . 0.0 112.074 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 25.0 mt -86.17 -64.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.2 m -121.0 -2.04 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -62.81 -29.53 70.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.83 70.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.39 -23.06 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.09 135.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . . . . . . . . . 12.1 mt -67.47 -69.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 1.2 t 56.6 171.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.18 98.01 7.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -37.23 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.1 m 62.94 146.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.99 -31.57 72.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.12 -47.15 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.6 -29.78 69.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.35 -46.05 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -123.2 107.34 11.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.36 -3.46 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.467 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 58.93 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.645 0.259 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.88 141.67 95.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.582 2.188 . . . . 0.0 112.194 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.716 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -107.03 -22.03 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.588 ' H ' HD22 ' A' ' 418' ' ' LEU . 24.4 p -156.15 165.57 36.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.81 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.452 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 64.6 m-85 -138.07 151.17 47.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.09 113.02 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.753 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.47 112.95 27.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.17 -1.69 11.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.433 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.47 -29.53 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 47.1 m -124.91 -8.32 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.44 35.64 9.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.06 140.17 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 420' ' ' PHE . 4.1 mp -98.04 145.77 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.48 ' CD2' ' CD1' ' A' ' 437' ' ' PHE . 79.2 m-85 -138.08 115.27 9.32 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.88 157.54 12.77 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.514 2.143 . . . . 0.0 112.173 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.71 -33.11 54.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.354 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 9.9 t -74.61 -22.68 58.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.574 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.944 ' HG3' HD13 ' A' ' 436' ' ' ILE . 0.0 OUTLIER -91.99 16.27 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.44 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 18.3 tttt -55.16 -33.41 62.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -64.38 -49.79 70.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 110.006 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.944 HD13 ' HG3' ' A' ' 433' ' ' GLU . 5.3 mp -68.7 -33.86 61.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.848 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.879 ' O ' HG23 ' A' ' 441' ' ' VAL . 9.9 t80 -64.63 -46.56 82.04 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.936 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -44.19 90.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.758 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.92 -36.63 82.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.037 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.457 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.9 t60 -64.31 -47.58 78.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.0 t -67.14 -32.95 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.964 0.411 . . . . 0.0 110.504 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -42.94 97.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.597 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.5 t -54.64 -30.42 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 8.0 m-70 -79.08 -23.39 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.555 ' HB2' HD23 ' A' ' 446' ' ' LEU . 24.8 m -90.54 -15.11 31.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 445' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.638 0.256 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.97 -32.11 22.66 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.507 2.138 . . . . 0.0 112.331 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.94 -45.12 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 2.5 m -179.72 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.61 146.57 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.44 110.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.81 120.4 39.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.38 135.63 43.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.36 133.37 51.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.235 1.957 . . . . 0.0 111.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.3 pt -102.45 33.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 1.6 m -161.76 -45.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -60.67 -28.93 68.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.3 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 404' ' ' ASP . 3.7 t0 -100.23 -9.03 22.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 403' ' ' ASP . 2.4 m-20 84.88 -21.43 0.24 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.609 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 405' ' ' ILE . 6.5 tp -178.82 109.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.82 0.343 . . . . 0.0 110.983 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.49 169.66 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -89.17 89.96 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -39.14 84.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 97.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.55 -32.07 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.07 -48.02 77.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.26 -31.19 71.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -31.1 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -94.07 146.17 24.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.6 -166.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -125.36 76.43 68.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.88 149.43 88.51 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.114 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 431' ' ' ALA . 0.3 OUTLIER -77.64 -10.65 59.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.469 -179.63 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . . . . . . . . . 3.6 p -129.89 157.96 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.465 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 69.6 m-85 -130.02 150.35 51.33 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.13 114.16 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.66 112.99 36.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.97 -2.85 13.11 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.289 1.993 . . . . 0.0 112.472 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.04 -30.35 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.186 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 44.2 m -124.18 -12.09 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.833 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 2.9 t0 67.43 41.8 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.56 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.32 138.12 50.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.03 139.82 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.419 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 84.3 m-85 -133.23 117.04 14.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.284 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.42 157.9 20.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.646 2.231 . . . . 0.0 112.012 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 418' ' ' LEU . . . -53.3 -33.23 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.223 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.9 p -72.47 -23.98 61.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.404 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.99 16.31 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -54.99 -34.7 63.61 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.977 0.417 . . . . 0.0 110.382 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -64.13 -49.7 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.37 -33.97 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.915 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.892 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.3 t80 -64.85 -46.95 79.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.07 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.71 -43.92 90.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -36.76 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.968 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.419 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 83.7 t60 -64.56 -47.61 78.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.013 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 437' ' ' PHE . 1.9 t -68.11 -32.93 58.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.88 0.371 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.483 ' HD1' HD21 ' A' ' 446' ' ' LEU . 3.3 m-85 -63.53 -43.62 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.72 -29.81 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.7 m-70 -79.23 -20.91 47.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.726 ' HB3' HD23 ' A' ' 446' ' ' LEU . 0.3 OUTLIER -99.3 -15.02 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.195 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.642 0.258 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.11 113.38 3.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.503 2.135 . . . . 0.0 112.259 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.38 175.41 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 51.8 p -102.43 -174.66 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' ILE . . . . . . . . . . . . . 34.3 pt -120.21 165.08 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.73 30.93 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -118.03 107.27 13.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 70.0 m -115.88 123.48 31.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.91 133.44 54.73 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.177 1.918 . . . . 0.0 112.08 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 2.3 pt -141.57 83.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 82.4 m -139.43 135.2 33.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -78.31 -23.01 47.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.03 60.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.468 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -83.81 -20.69 32.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.748 0.309 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ASP . . . . . 0.403 ' O ' ' CG1' ' A' ' 405' ' ' ILE . 1.9 t0 64.75 -171.16 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.003 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' ILE . . . . . 0.403 ' CG1' ' O ' ' A' ' 404' ' ' ASP . 40.1 pt 42.81 31.75 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' CYS . . . . . . . . . . . . . 22.1 t -150.61 122.41 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.12 97.35 7.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.84 -29.16 55.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.18 131.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.49 -34.02 76.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.15 -47.91 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -32.66 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.89 -31.36 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -77.43 -42.92 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -99.72 110.47 22.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -124.4 100.27 35.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.84 155.08 51.4 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.513 2.142 . . . . 0.0 112.229 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.712 ' N ' HD13 ' A' ' 418' ' ' LEU . 0.0 OUTLIER -106.79 -23.3 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' CYS . . . . . 0.607 ' H ' HD22 ' A' ' 418' ' ' LEU . 57.5 m -150.75 166.62 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' PHE . . . . . 0.47 ' CG ' ' CD2' ' A' ' 437' ' ' PHE . 65.5 m-85 -138.05 153.24 49.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.89 0.376 . . . . 0.0 111.285 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -140.21 112.95 8.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.61 112.64 28.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.43 -3.96 14.62 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.585 2.19 . . . . 0.0 112.217 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' ILE . . . . . . . . . . . . . 16.0 mt -95.43 -30.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' CYS . . . . . . . . . . . . . 55.8 m -123.43 -10.91 7.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.835 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.51 36.25 3.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.65 139.06 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.02 139.1 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' PHE . . . . . 0.473 ' CE2' ' CD2' ' A' ' 440' ' ' HIS . 88.2 m-85 -131.7 120.79 17.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.031 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.75 157.88 49.56 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.501 2.134 . . . . 0.0 111.972 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -53.35 -33.0 51.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 3.1 p -71.15 -26.05 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.217 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . 0.688 ' HG3' HD12 ' A' ' 436' ' ' ILE . 0.2 OUTLIER -92.81 15.88 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.701 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 420' ' ' PHE . 19.0 tttm -54.87 -32.87 61.28 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 120.952 0.406 . . . . 0.0 110.375 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -64.66 -49.81 69.54 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.747 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.688 HD12 ' HG3' ' A' ' 433' ' ' GLU . 11.2 mt -68.94 -33.99 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . 0.903 ' O ' HG23 ' A' ' 441' ' ' VAL . 12.1 t80 -64.43 -46.4 83.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.907 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.8 -44.31 90.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -67.09 -36.77 82.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.473 ' CD2' ' CE2' ' A' ' 429' ' ' PHE . 84.3 t60 -64.63 -47.73 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.094 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 437' ' ' PHE . 2.1 t -67.58 -32.9 58.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.53 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -63.33 -44.21 95.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.7 -30.26 55.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 441' ' ' VAL . 7.5 m-70 -79.12 -25.37 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.491 ' C ' HD23 ' A' ' 446' ' ' LEU . 5.0 m -94.09 -15.21 24.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 445' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_