data_2mwd_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 2mwd _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 ' 435' ' ' TRP . . . . . 0.536 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 58.7 m95 . . . . . 0 C--O 1.234 0.277 0 N-CA-C 109.875 -0.417 . . . . 15.0 109.875 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.5 m -89.86 100.7 13.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.156 0.503 . . . . 15.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.08 98.17 11.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.533 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 37.7 ttm180 -123.12 149.23 44.78 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -94.85 119.73 33.91 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.186 0.517 . . . . 15.0 111.013 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.9 t -89.83 150.2 22.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.563 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 -12.13 5.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.84 0.682 . . . . 15.0 112.84 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.86 -8.73 46.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.324 0.583 . . . . 15.0 110.257 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.81 34.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.584 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -122.04 138.56 54.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.808 0.337 . . . . 15.0 110.621 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.9 m -89.91 98.21 11.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.533 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 19.6 p90 -92.26 139.54 30.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.749 -0.38 . . . . 15.0 110.31 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.7 m-85 -101.52 91.78 4.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.401 ' O ' ' HB ' ' A' ' 436' ' ' THR . 66.9 t80 -89.49 133.51 34.53 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.18 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.536 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 11.8 t30 -113.19 113.57 25.54 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.045 -0.98 . . . . 15.0 110.495 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -104.82 2.63 30.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.463 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.67 -46.62 45.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.248 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -119.25 0.19 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.028 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.9 mt 70.68 75.12 0.2 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.244 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -150.03 141.56 23.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.859 -176.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -101.91 115.58 30.84 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.257 -0.277 . . . . 15.0 110.375 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.7 m -112.68 125.71 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.287 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -116.4 -1.05 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 15.0 111.812 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.23 121.74 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.315 -0.624 . . . . 15.0 109.315 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -67.24 118.28 54.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 111.504 0.187 . . . . 15.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.127 2.551 . . . . 15.0 112.374 176.032 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.493 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 8.3 m95 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.611 -0.144 . . . . 15.0 110.611 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.664 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -92.67 109.71 21.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.331 -0.231 . . . . 15.0 110.956 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.76 92.31 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.273 -1.01 . . . . 15.0 108.273 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -123.94 145.34 49.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.492 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -120.43 118.48 30.41 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.024 0.44 . . . . 15.0 110.696 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.6 t -89.79 150.26 22.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.07 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.95 -6.09 3.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.163 0.431 . . . . 15.0 112.163 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.09 -9.16 54.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.42 0.628 . . . . 15.0 110.077 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 27.52 21.95 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.663 -0.699 . . . . 15.0 111.548 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -124.67 117.89 25.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 15.0 110.863 -176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.3 m -89.9 101.11 13.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.762 -0.829 . . . . 15.0 108.762 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -105.84 145.3 31.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.61 -0.436 . . . . 15.0 110.566 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.5 m-85 -111.39 97.93 7.11 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.554 -0.748 . . . . 15.0 109.481 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -89.45 133.57 34.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.473 0.654 . . . . 15.0 110.653 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.493 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 48.7 t-20 -89.63 115.42 27.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.81 -1.087 . . . . 15.0 109.262 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.66 -5.45 51.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 15.0 110.055 -173.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.734 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 1.7 mmp_? -105.12 -21.25 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.465 0.543 . . . . 15.0 112.465 -177.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -120.12 -0.31 10.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.611 0.243 . . . . 15.0 110.942 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.1 mt 60.09 31.69 20.68 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.711 0.767 . . . . 15.0 109.775 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 41.4 tt0 -101.75 149.66 23.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.687 -1.142 . . . . 15.0 109.851 -173.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 p -110.65 108.08 17.87 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.925 0.393 . . . . 15.0 110.418 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 19.0 m -113.29 121.6 44.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -113.56 5.75 16.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.312 0.577 . . . . 15.0 111.354 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 62.8 mm-40 -116.61 127.03 54.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.27 -0.877 . . . . 15.0 108.653 170.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.2 mtpp -73.95 117.24 59.69 Favored Pre-proline 0 N--CA 1.467 0.414 0 N-CA-C 111.877 0.325 . . . . 15.0 111.877 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 33.0 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 122.41 2.073 . . . . 15.0 111.568 169.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.8 m95 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.461 0.172 . . . . 15.0 110.654 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 65.0 m -89.71 91.49 8.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.95 100.32 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.686 -0.857 . . . . 15.0 108.686 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -130.66 149.17 52.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -103.95 121.06 42.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.479 0.656 . . . . 15.0 111.139 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -89.59 150.2 22.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.209 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.07 -3.5 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.367 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.71 -2.21 31.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.335 0.588 . . . . 15.0 110.04 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.42 17.53 Favored Glycine 0 CA--C 1.509 -0.298 0 CA-C-N 115.784 -0.644 . . . . 15.0 112.273 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -138.41 132.18 31.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.941 0.4 . . . . 15.0 110.615 -175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 m -89.74 99.68 12.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -90.08 140.2 29.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.608 -0.437 . . . . 15.0 110.009 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.78 103.43 11.96 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.836 -0.802 . . . . 15.0 108.836 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -89.2 127.41 35.75 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.31 0.576 . . . . 15.0 110.662 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.46 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 36.1 t-20 -90.02 111.83 23.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.111 -0.949 . . . . 15.0 109.139 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.05 0.44 55.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.554 0.692 . . . . 15.0 109.646 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -79.98 -56.95 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.357 -0.838 . . . . 15.0 109.79 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 35.4 p -110.01 0.31 18.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.935 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 452' ' ' THR . 9.5 mp 70.45 34.42 2.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.641 0.734 . . . . 15.0 110.061 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.8 tt0 -90.06 145.22 25.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.905 -1.043 . . . . 15.0 109.956 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.507 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 78.5 p -94.91 108.37 20.41 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.927 -0.768 . . . . 15.0 108.927 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 24.2 m -99.87 119.55 38.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.397 -173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.507 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 69.0 m95 -120.94 7.62 10.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.219 0.533 . . . . 15.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -119.87 120.18 35.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.153 -1.054 . . . . 15.0 108.153 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.02 117.12 36.13 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 111.977 0.362 . . . . 15.0 111.977 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.92 2.414 . . . . 15.0 112.134 175.668 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 48.9 m95 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.489 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.5 m -90.11 110.98 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 15.0 111.518 -177.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -92.1 90.36 7.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.014 -0.735 . . . . 15.0 109.014 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 42.0 ttm180 -105.37 126.38 52.04 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.08 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.38 112.15 23.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.96 0.8 . . . . 15.0 110.345 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 444' ' ' LYS . 5.9 t -89.86 149.96 22.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.114 0.483 . . . . 15.0 110.194 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.91 -8.02 9.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.319 -0.855 . . . . 15.0 112.929 -171.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.52 -7.3 37.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.565 0.698 . . . . 15.0 110.048 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.37 15.24 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.647 -0.706 . . . . 15.0 112.439 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 440' ' ' THR . 13.4 pttm -150.03 146.17 26.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 15.0 110.961 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.6 t -97.57 144.99 26.69 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.687 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.568 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 38.2 p90 -125.91 134.12 51.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 436' ' ' THR . 12.9 m-85 -93.24 89.9 6.6 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.381 0.61 . . . . 15.0 109.801 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -89.79 123.64 33.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.987 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.429 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 12.5 t-20 -106.28 142.33 36.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 15.0 111.214 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -106.33 8.52 31.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.272 0.558 . . . . 15.0 110.289 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 35.0 mmt180 -79.38 -63.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.171 0.51 . . . . 15.0 110.491 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.1 p -107.12 -0.01 23.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.341 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 63.2 65.62 0.77 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.322 -0.854 . . . . 15.0 109.461 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -123.13 140.78 52.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.963 -1.017 . . . . 15.0 110.123 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.5 t -106.39 100.77 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.233 -0.654 . . . . 15.0 109.233 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.68 144.26 30.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.354 -175.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 73.7 m95 -125.14 1.3 7.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.345 0.869 . . . . 15.0 113.345 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.08 136.92 54.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -82.15 121.71 78.99 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.585 0.231 . . . . 15.0 111.346 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.759 2.306 . . . . 15.0 111.792 175.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.467 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 15.0 m95 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.259 0.076 . . . . 15.0 110.984 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.9 m -90.1 105.76 18.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.747 0.308 . . . . 15.0 110.448 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.72 99.92 12.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -124.31 139.75 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.501 -0.318 . . . . 15.0 110.258 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -103.82 115.05 29.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.622 0.647 . . . . 15.0 110.542 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.4 t -89.83 150.0 22.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.212 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.97 1.61 2.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.467 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.23 -11.26 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.384 0.612 . . . . 15.0 109.694 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 27.82 19.99 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.155 -0.778 . . . . 15.0 111.155 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -138.29 134.9 34.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 15.0 110.97 -174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.6 m -97.73 103.99 15.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 171.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -100.23 143.76 30.06 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.906 0.384 . . . . 15.0 110.307 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -107.67 94.27 4.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.449 0.643 . . . . 15.0 109.539 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -89.37 127.48 35.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.411 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.467 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 18.6 t30 -90.04 120.45 31.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.62 -0.718 . . . . 15.0 109.592 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.05 -3.13 58.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.905 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -82.41 -40.86 20.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.251 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 m -120.07 -0.08 10.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.603 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 62.8 29.36 16.68 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.826 0.822 . . . . 15.0 109.082 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -89.93 134.84 33.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.279 -1.328 . . . . 15.0 109.931 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 t -98.41 108.32 20.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.715 -0.394 . . . . 15.0 109.974 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 17.8 m -107.13 120.72 42.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.817 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -115.78 3.92 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.304 0.573 . . . . 15.0 111.368 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -120.15 123.46 43.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.542 -0.911 . . . . 15.0 108.542 170.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 22.4 mtpt -62.09 124.51 82.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.973 -0.291 . . . . 15.0 110.591 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.245 0.875 0 C-N-CA 122.518 2.145 . . . . 15.0 111.535 177.476 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.457 ' HZ3' ' ND2' ' A' ' 449' ' ' ASN . 30.0 m95 . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.562 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.8 m -97.49 101.07 12.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 172.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HG3' ' HD1' ' A' ' 447' ' ' TYR . 27.8 mp0 -89.69 95.95 10.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.642 -0.873 . . . . 15.0 108.642 176.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.65 146.26 50.92 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.902 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -99.61 124.39 44.78 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.12 0.486 . . . . 15.0 110.043 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.5 t -89.59 150.27 22.47 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.593 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -14.93 17.24 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.917 0.71 . . . . 15.0 112.917 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.25 -7.29 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.211 0.529 . . . . 15.0 110.659 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 34.59 7.98 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.973 -0.632 . . . . 15.0 112.336 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -124.49 130.33 52.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.7 0.286 . . . . 15.0 110.411 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.5 m -89.99 97.46 11.2 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 15.0 108.843 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -103.04 146.76 27.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.094 0.474 . . . . 15.0 110.604 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.562 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.4 m-85 -112.03 101.0 9.32 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.436 -0.802 . . . . 15.0 109.522 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.14 130.18 35.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 15.0 110.487 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 49.4 t-20 -89.94 115.6 27.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.179 -0.919 . . . . 15.0 109.844 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -99.86 1.61 43.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.146 0.498 . . . . 15.0 110.398 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -91.08 -43.76 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.267 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 m -117.38 0.01 12.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 15.0 111.017 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 86.6 mt 60.5 75.0 0.43 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.52 0.676 . . . . 15.0 110.034 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -142.39 144.4 33.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.22 -172.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t -95.94 99.5 11.28 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.701 -0.851 . . . . 15.0 108.701 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 m -107.33 102.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.28 0.562 . . . . 15.0 111.183 -171.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -104.42 7.63 35.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.683 0.754 . . . . 15.0 110.207 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.24 131.27 54.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.833 -1.076 . . . . 15.0 109.213 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.556 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 7.4 mtpm? -74.55 126.73 88.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 15.0 111.722 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.752 2.302 . . . . 15.0 111.947 176.055 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 51.8 m95 . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 109.265 -0.642 . . . . 15.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 88.2 m -89.11 90.87 8.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.528 -0.915 . . . . 15.0 108.528 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -89.94 89.92 7.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 15.0 109.135 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.77 145.95 50.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 15.0 109.55 -173.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -117.22 124.96 50.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.787 -0.57 . . . . 15.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 150.1 22.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.847 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -2.1 2.51 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.32 -5.43 39.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.242 0.544 . . . . 15.0 109.661 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 33.57 8.87 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 115.586 -0.734 . . . . 15.0 112.508 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.69 128.37 20.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.763 0.316 . . . . 15.0 110.905 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.6 m -89.78 116.85 28.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.85 149.5 38.52 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.318 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.2 m-85 -119.16 100.98 7.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.316 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.463 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 89.2 t80 -89.31 128.58 35.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.304 0.573 . . . . 15.0 111.125 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 43.7 t-20 -89.72 111.36 22.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.249 -0.887 . . . . 15.0 109.042 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.5 -2.0 54.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.325 0.583 . . . . 15.0 110.24 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -84.06 -39.88 19.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.4 m -120.03 0.13 10.69 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.465 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.1 mt 67.65 32.72 5.35 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.477 0.656 . . . . 15.0 110.221 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 35.6 tt0 -89.82 148.21 23.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.272 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 t -111.97 102.6 10.83 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -94.67 117.15 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.058 -174.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -116.42 2.14 13.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 15.0 111.244 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -120.14 117.39 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.532 ' HB3' ' HZ1' ' A' ' 459' ' ' LYS . 6.5 mtmp? -59.94 122.81 68.56 Favored Pre-proline 0 N--CA 1.465 0.28 0 O-C-N 123.189 0.305 . . . . 15.0 111.809 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 121.949 1.766 . . . . 15.0 111.434 168.223 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 57.4 m95 . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 448' ' ' TYR . 89.9 m -90.01 99.83 12.76 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.506 -0.478 . . . . 15.0 109.813 174.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.69 95.67 10.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.407 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 76.3 ttt180 -122.73 115.27 21.77 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.047 -171.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.98 111.9 23.13 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.334 0.97 . . . . 15.0 110.542 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.5 t -89.96 150.0 22.34 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.57 -2.15 6.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.357 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.28 -13.25 57.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.35 0.595 . . . . 15.0 109.718 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 29.25 16.06 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.992 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -141.36 141.47 33.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 15.0 110.815 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 53.9 m -102.82 107.62 18.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.193 -0.669 . . . . 15.0 109.193 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.407 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 14.8 p90 -99.71 145.33 27.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.685 -0.406 . . . . 15.0 110.307 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.18 103.93 12.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.817 -0.629 . . . . 15.0 109.675 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.585 ' HH ' HD21 ' A' ' 453' ' ' LEU . 81.1 t80 -89.41 132.8 34.82 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.357 0.598 . . . . 15.0 110.884 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.821 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 46.9 t-20 -89.77 118.83 29.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.169 -0.923 . . . . 15.0 109.191 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -98.39 -5.35 32.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.669 0.271 . . . . 15.0 111.04 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -84.49 -41.91 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.4 m -114.73 -0.83 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.496 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.585 HD21 ' HH ' ' A' ' 448' ' ' TYR . 81.4 mt 57.37 75.02 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.976 -173.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 10.6 tt0 -132.23 149.58 52.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.122 -0.945 . . . . 15.0 110.376 -169.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.3 t -97.31 98.93 10.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.9 m -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 15.0 110.841 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -117.68 8.51 12.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.426 0.631 . . . . 15.0 111.235 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -119.77 128.38 53.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.323 -0.992 . . . . 15.0 108.323 168.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.86 122.68 80.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 111.501 0.185 . . . . 15.0 111.501 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.96 2.44 . . . . 15.0 111.974 177.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.0 m95 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.225 -0.657 . . . . 15.0 109.225 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.495 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 86.6 m -89.89 105.05 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.785 0.326 . . . . 15.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.94 91.92 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.516 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.2 ttm180 -105.33 132.18 51.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.727 -175.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -89.93 116.2 27.81 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.959 0.799 . . . . 15.0 110.322 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.74 140.44 29.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.922 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.89 -10.49 21.12 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.299 0.481 . . . . 15.0 112.299 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.62 -8.91 30.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.151 0.501 . . . . 15.0 110.798 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 28.0 19.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.065 -0.588 . . . . 15.0 111.984 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.407 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 10.0 pttm -141.5 130.08 22.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.94 0.4 . . . . 15.0 110.393 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.9 m -90.19 118.12 29.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.74 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.516 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 34.3 p90 -102.65 136.57 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.319 -0.552 . . . . 15.0 110.193 -178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.0 m-85 -99.39 91.55 4.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.306 0.574 . . . . 15.0 109.668 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.404 ' O ' ' HB ' ' A' ' 436' ' ' THR . 28.1 t80 -89.54 121.37 31.69 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.497 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.546 HD22 ' HB2' ' A' ' 451' ' ' ARG . 10.4 t-20 -94.35 131.02 40.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.709 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.8 -6.33 46.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.709 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.546 ' HB2' HD22 ' A' ' 449' ' ' ASN . 23.1 mmt180 -70.65 -68.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.231 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 454' ' ' GLU . 10.4 t -100.68 0.35 38.91 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 86.7 mt 70.24 44.91 0.7 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.716 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.465 ' HB2' HG22 ' A' ' 452' ' ' THR . 33.8 tt0 -93.02 138.37 31.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.08 -0.964 . . . . 15.0 110.573 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -92.79 101.84 14.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.385 -0.969 . . . . 15.0 108.385 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 8.2 m -100.8 124.38 46.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.206 -173.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.407 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 57.6 m95 -122.52 4.18 9.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.053 0.454 . . . . 15.0 111.84 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -115.26 120.79 40.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -75.4 118.79 73.4 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 121.045 -0.262 . . . . 15.0 111.065 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 123.05 2.5 . . . . 15.0 112.114 178.468 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 42.8 m95 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.588 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.8 m -89.65 104.39 16.95 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.93 -0.308 . . . . 15.0 110.87 -178.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.77 102.65 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -143.51 142.48 31.15 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.108 -0.701 . . . . 15.0 109.108 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.774 ' HZ2' ' HB3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -102.68 123.17 45.89 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.868 0.842 . . . . 15.0 111.015 -178.378 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 7.2 t -89.7 150.4 22.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.156 -1.383 . . . . 15.0 109.785 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.0 -3.74 0.62 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.303 0.482 . . . . 15.0 112.303 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.62 -13.1 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.458 0.647 . . . . 15.0 109.997 171.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.32 10.89 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.595 -0.729 . . . . 15.0 112.313 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 15.0 111.441 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.5 m -89.94 100.27 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.054 -0.721 . . . . 15.0 109.054 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -103.29 142.54 34.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.612 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.5 m-85 -108.76 99.2 8.59 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.751 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -89.68 128.67 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.326 0.584 . . . . 15.0 110.591 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 17.1 t30 -102.08 126.51 49.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.175 -0.921 . . . . 15.0 110.261 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.65 -13.74 36.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 15.0 110.462 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.37 -41.97 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.046 -0.524 . . . . 15.0 110.753 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 -0.15 10.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.132 -176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.5 mt 62.16 25.9 15.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.918 0.866 . . . . 15.0 109.363 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -89.93 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.065 -1.425 . . . . 15.0 110.564 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.542 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.3 m -102.7 110.43 22.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.647 -0.421 . . . . 15.0 110.509 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.5 m -103.21 122.37 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.542 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 42.0 m95 -112.71 1.16 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 15.0 111.625 -174.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.76 132.22 56.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.353 172.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -72.58 119.82 77.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.919 -0.312 . . . . 15.0 111.693 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.8 2.333 . . . . 15.0 111.502 169.583 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.525 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 32.5 m95 . . . . . 0 N--CA 1.444 -0.763 0 N-CA-C 108.065 -1.087 . . . . 15.0 108.065 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.9 m -89.69 100.09 12.97 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.243 -0.651 . . . . 15.0 109.243 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -89.98 90.14 8.02 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -117.15 129.59 56.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.003 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -89.93 113.58 25.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 119.209 0.913 . . . . 15.0 108.987 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 m -89.74 141.0 29.03 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.131 -175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.87 3.36 3.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.51 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -84.24 6.59 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.886 0.851 . . . . 15.0 109.389 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.19 19.6 56.91 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.133 -0.94 . . . . 15.0 113.011 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -145.9 134.22 21.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.852 0.358 . . . . 15.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.4 m -92.06 120.19 32.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.187 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.441 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.4 p90 -108.17 149.89 27.95 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.639 -0.424 . . . . 15.0 110.664 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.593 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-85 -116.96 93.63 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.375 0.607 . . . . 15.0 109.641 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.65 120.2 30.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 15.0 111.032 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.525 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t30 -95.54 130.56 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.97 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -100.2 -3.75 30.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.177 0.513 . . . . 15.0 110.256 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 449' ' ' ASN . 50.2 mmt-85 -71.41 -44.22 65.29 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.999 0.428 . . . . 15.0 110.97 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -119.74 0.23 10.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.368 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.0 mt 59.06 71.63 0.57 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.806 0.812 . . . . 15.0 109.258 -170.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -133.88 121.38 21.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.682 -1.144 . . . . 15.0 109.845 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.5 t -89.79 100.21 13.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.424 -0.584 . . . . 15.0 109.424 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.8 m -105.5 117.15 33.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.367 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.441 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 39.1 m95 -105.36 -1.4 25.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.337 0.589 . . . . 15.0 110.427 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.79 149.9 26.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.566 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -92.53 120.03 67.66 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 120.48 -0.488 . . . . 15.0 111.179 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.248 0.978 0 C-N-CA 122.786 2.324 . . . . 15.0 111.861 175.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.375 -0.231 . . . . 15.0 110.375 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.6 m -105.15 108.02 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.448 -0.101 . . . . 15.0 111.098 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.428 ' HG3' ' CD1' ' A' ' 447' ' ' TYR . 12.5 mp0 -89.63 93.55 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.114 -0.699 . . . . 15.0 109.114 173.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 79.8 ttt180 -99.37 128.39 45.48 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.381 -0.6 . . . . 15.0 109.381 -177.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -89.65 107.08 18.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 119.485 1.038 . . . . 15.0 109.203 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.474 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 1.4 m -89.75 144.22 26.15 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.472 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.55 -0.74 4.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.37 0.508 . . . . 15.0 112.37 -173.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.58 -4.33 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.479 0.657 . . . . 15.0 109.732 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 20.15 44.05 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.629 -0.714 . . . . 15.0 111.708 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -127.92 128.99 46.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 15.0 110.877 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.2 m -93.13 98.82 11.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.981 -0.748 . . . . 15.0 108.981 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 9.1 p90 -98.8 146.28 26.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.242 0.544 . . . . 15.0 110.602 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 7.9 m-85 -104.97 102.78 12.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.553 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -89.2 121.63 31.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.17 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.442 HD22 ' HB2' ' A' ' 451' ' ' ARG . 30.4 t30 -104.92 128.11 53.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.142 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.75 -9.22 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.967 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.442 ' HB2' HD22 ' A' ' 449' ' ' ASN . 26.3 mmm180 -66.07 -46.75 76.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.889 0.376 . . . . 15.0 111.162 -178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.4 p -119.81 -0.01 10.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.965 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 452' ' ' THR . 96.8 mt 69.75 31.43 3.54 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.868 0.73 . . . . 15.0 109.728 -174.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.86 136.74 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.12 -0.945 . . . . 15.0 110.66 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 t -99.29 103.81 15.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 m -102.0 125.74 48.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.1 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -115.53 -2.94 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.116 0.413 . . . . 15.0 112.116 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -120.21 137.9 53.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.865 -0.791 . . . . 15.0 108.865 168.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 10.1 mtpm? -70.0 126.03 92.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 15.0 112.186 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--O 1.246 0.89 0 C-N-CA 123.447 2.765 . . . . 15.0 112.217 177.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 41.7 m95 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.7 m -90.03 102.06 14.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.272 -0.27 . . . . 15.0 110.272 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.91 102.61 15.32 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -136.13 150.04 48.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.02 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -100.73 121.57 41.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.222 0.534 . . . . 15.0 110.288 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.88 150.24 22.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.698 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -12.0 6.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.084 -0.507 . . . . 15.0 112.237 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.63 -7.52 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.234 0.54 . . . . 15.0 110.4 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 35.62 7.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.113 -0.565 . . . . 15.0 112.328 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 130.5 36.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.747 0.308 . . . . 15.0 110.848 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.7 m -89.98 93.78 9.54 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.622 -0.881 . . . . 15.0 108.622 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -100.97 144.19 30.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.69 -173.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 26.0 m-85 -103.9 99.44 9.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.966 -177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -89.62 121.25 31.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.32 0.581 . . . . 15.0 110.148 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 38.1 t30 -90.01 130.36 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.786 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.451 ' H ' HD21 ' A' ' 450' ' ' ASN . 0.1 OUTLIER -96.06 -5.57 40.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -72.98 -64.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.891 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 27.5 p -106.37 -0.21 24.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.975 0.417 . . . . 15.0 110.742 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 8.8 mp 63.6 74.88 0.41 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.226 -0.897 . . . . 15.0 109.986 -172.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.98 137.71 51.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.242 -0.89 . . . . 15.0 109.061 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.776 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 43.6 m -96.99 102.11 13.82 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.585 -0.446 . . . . 15.0 110.235 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 m -98.73 112.72 24.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.961 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.776 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 43.1 m95 -107.73 -3.69 18.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 15.0 111.416 -174.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.03 131.11 55.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.373 -0.973 . . . . 15.0 108.373 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.791 ' HZ2' ' HB3' ' A' ' 459' ' ' LYS . 3.6 mtpm? -63.33 126.58 89.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 113.789 1.033 . . . . 15.0 113.789 -170.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.253 1.274 0 C-N-CA 122.546 2.164 . . . . 15.0 111.12 164.799 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.555 ' HZ3' HD21 ' A' ' 449' ' ' ASN . 11.2 m95 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.627 -0.138 . . . . 15.0 110.627 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.4 m -89.98 90.46 8.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.9 95.4 10.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.03 -0.73 . . . . 15.0 109.03 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -126.58 149.95 49.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.367 -0.833 . . . . 15.0 110.247 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 47.6 mtpt -95.08 125.03 39.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.093 0.473 . . . . 15.0 110.498 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.54 150.07 22.6 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.09 -10.92 4.89 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 -171.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.428 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 15.5 t70 -73.22 -8.86 57.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.479 0.657 . . . . 15.0 110.001 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 28.14 18.98 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.697 -0.683 . . . . 15.0 112.147 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.428 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 58.5 mttm -122.2 133.24 54.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.778 0.323 . . . . 15.0 110.399 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 m -90.01 101.06 13.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.465 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.5 p90 -100.21 139.09 36.37 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.892 -0.323 . . . . 15.0 110.57 -174.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.5 98.45 8.22 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.323 -0.621 . . . . 15.0 109.323 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.35 132.75 34.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.544 0.687 . . . . 15.0 110.499 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.555 HD21 ' HZ3' ' A' ' 435' ' ' TRP . 8.1 t-20 -89.67 125.79 35.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.405 -175.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.49 -4.7 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.282 0.563 . . . . 15.0 110.054 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -72.53 -58.59 3.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.072 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 5.5 m -119.81 0.1 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.027 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 452' ' ' THR . 8.8 mp 69.55 75.11 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.98 0.895 . . . . 15.0 109.414 -172.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.6 tt0 -131.4 150.04 52.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.515 -1.22 . . . . 15.0 109.028 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.432 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 69.4 p -103.19 111.21 23.48 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.382 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.1 m -111.7 126.53 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.96 -0.385 . . . . 15.0 109.96 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.1 m95 -120.96 6.25 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.495 -0.482 . . . . 15.0 112.237 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -120.07 130.73 54.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.95 -0.759 . . . . 15.0 108.95 170.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -75.84 116.67 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.057 0.392 . . . . 15.0 112.057 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 C--O 1.248 0.997 0 C-N-CA 122.591 2.194 . . . . 15.0 111.426 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.405 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 38.9 m95 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.495 -0.187 . . . . 15.0 110.495 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 97.1 m -89.47 99.54 12.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.939 -0.393 . . . . 15.0 109.939 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.99 93.27 9.34 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.465 ' HD2' ' HH ' ' A' ' 446' ' ' TYR . 43.0 ttm180 -115.37 137.9 51.56 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.227 -0.897 . . . . 15.0 109.351 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.35 116.09 28.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.568 0.622 . . . . 15.0 110.878 -175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.465 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 0.2 OUTLIER -89.69 139.39 30.61 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.586 172.477 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.04 -10.62 10.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.55 -5.28 41.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.076 0.465 . . . . 15.0 110.816 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.9 37.39 6.84 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.231 -0.748 . . . . 15.0 111.231 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.88 124.48 19.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.27 -0.465 . . . . 15.0 110.239 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 m -90.6 99.91 12.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 171.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.465 ' HD1' ' OG1' ' A' ' 440' ' ' THR . 28.0 p90 -93.72 145.31 24.67 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.282 -0.567 . . . . 15.0 110.689 -173.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.547 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.2 m-85 -106.49 101.52 10.98 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.497 -0.774 . . . . 15.0 109.857 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -89.04 122.65 32.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 15.0 110.597 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 47.9 t-20 -89.89 116.31 27.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.898 -1.046 . . . . 15.0 108.833 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -91.15 -3.36 57.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.482 . . . . 15.0 110.323 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -82.99 -40.84 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.159 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.7 m -120.1 0.04 10.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.884 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.58 27.35 14.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.45 0.643 . . . . 15.0 110.126 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 26.1 tt0 -90.08 150.33 22.11 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.501 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 m -112.25 108.37 17.56 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.017 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 137.46 38.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.812 . . . . 15.0 108.806 -177.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -125.5 9.56 7.81 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.431 -0.508 . . . . 15.0 112.179 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.33 136.76 54.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.176 -0.676 . . . . 15.0 109.176 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -83.86 117.37 68.5 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 120.905 -0.318 . . . . 15.0 110.929 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.776 2.318 . . . . 15.0 111.84 172.617 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 49.5 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.2 m -97.69 110.55 23.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.462 0.172 . . . . 15.0 111.049 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.53 93.07 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.908 -1.145 . . . . 15.0 107.908 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -116.7 146.07 43.02 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.825 -0.35 . . . . 15.0 110.787 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.39 122.3 44.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.142 0.496 . . . . 15.0 110.444 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 444' ' ' LYS . 11.6 t -89.75 149.99 22.49 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.973 174.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.57 -2.38 4.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 15.0 112.081 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.89 -3.16 50.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.508 0.67 . . . . 15.0 109.707 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.96 37.24 8.54 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.733 -0.667 . . . . 15.0 112.417 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 440' ' ' THR . 57.8 mttp -141.44 135.89 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.824 0.345 . . . . 15.0 110.836 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -90.07 129.71 36.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.411 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.2 p90 -131.03 148.18 52.72 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.041 0.448 . . . . 15.0 110.465 -176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.555 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.6 m-85 -104.26 100.57 10.29 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.627 0.727 . . . . 15.0 109.933 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -89.26 131.95 35.13 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.518 0.675 . . . . 15.0 110.366 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.605 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 41.4 t-20 -90.03 114.39 26.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.794 -1.094 . . . . 15.0 109.37 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -95.76 -2.4 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 15.0 110.061 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -76.07 -51.21 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.696 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.2 t -120.09 0.03 10.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.295 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 44.4 mt 68.64 75.31 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.562 0.696 . . . . 15.0 109.903 -174.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 38.5 tt0 -135.82 149.49 49.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 15.0 109.553 -172.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.7 t -102.06 111.58 23.9 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.452 -0.573 . . . . 15.0 109.452 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.0 m -119.88 119.1 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.332 0.587 . . . . 15.0 110.98 -174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.411 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 33.4 m95 -115.72 6.62 14.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.375 0.607 . . . . 15.0 110.912 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.55 131.34 56.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 15.0 108.651 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -76.83 121.06 84.14 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.376 -0.53 . . . . 15.0 110.713 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.826 2.351 . . . . 15.0 111.592 176.816 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.783 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 19.6 m95 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.836 -0.431 . . . . 15.0 109.836 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 73.6 m -93.47 103.5 15.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.204 -0.31 . . . . 15.0 110.611 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.04 99.96 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.505 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.7 ttm180 -109.5 139.45 44.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.385 -0.37 . . . . 15.0 110.278 -176.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.12 101.17 13.88 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.467 0.576 . . . . 15.0 110.171 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 139.71 30.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.112 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.57 -2.99 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 15.0 111.579 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.38 -1.71 11.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.475 0.655 . . . . 15.0 110.296 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.81 24.51 29.97 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.542 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -141.82 127.49 19.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.696 0.284 . . . . 15.0 110.709 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.8 m -95.86 99.07 10.91 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.46 -0.941 . . . . 15.0 108.46 170.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.505 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 36.4 p90 -90.15 150.14 22.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 120.783 -0.367 . . . . 15.0 110.939 -172.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.8 m-85 -115.99 95.73 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.198 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.91 129.83 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.811 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.783 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 7.2 t-20 -90.1 132.66 35.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.675 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -107.11 3.85 26.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.745 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.681 ' HB2' HD22 ' A' ' 449' ' ' ASN . 5.3 mmp_? -86.71 -49.02 7.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 p -119.64 0.12 10.9 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.846 0.355 . . . . 15.0 110.697 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 68.89 75.19 0.25 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.347 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -133.86 139.25 46.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.796 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.762 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 45.3 p -95.47 103.06 14.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 174.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 m -100.63 115.38 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 15.0 110.171 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.762 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 49.1 m95 -111.74 7.1 20.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.339 0.59 . . . . 15.0 111.042 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -119.86 134.09 55.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.401 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 38.7 mtpt -78.75 121.22 83.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 111.694 0.257 . . . . 15.0 111.694 -175.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.528 2.152 . . . . 15.0 111.742 170.56 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 121.068 0.461 . . . . 15.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -111.97 -50.63 2.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.369 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.536 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 58.7 m95 -119.21 138.69 52.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 15.0 109.875 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.5 m -89.86 100.7 13.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.156 0.503 . . . . 15.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.08 98.17 11.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.533 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 37.7 ttm180 -123.12 149.23 44.78 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -94.85 119.73 33.91 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.186 0.517 . . . . 15.0 111.013 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.9 t -89.83 150.2 22.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.563 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 -12.13 5.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.84 0.682 . . . . 15.0 112.84 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.86 -8.73 46.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.324 0.583 . . . . 15.0 110.257 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.81 34.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.584 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -122.04 138.56 54.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.808 0.337 . . . . 15.0 110.621 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.9 m -89.91 98.21 11.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.533 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 19.6 p90 -92.26 139.54 30.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.749 -0.38 . . . . 15.0 110.31 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.7 m-85 -101.52 91.78 4.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.401 ' O ' ' HB ' ' A' ' 436' ' ' THR . 66.9 t80 -89.49 133.51 34.53 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.18 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.536 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 11.8 t30 -113.19 113.57 25.54 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.045 -0.98 . . . . 15.0 110.495 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -104.82 2.63 30.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.463 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.67 -46.62 45.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.248 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -119.25 0.19 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.028 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.9 mt 70.68 75.12 0.2 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.244 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -150.03 141.56 23.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.859 -176.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -101.91 115.58 30.84 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.257 -0.277 . . . . 15.0 110.375 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.7 m -112.68 125.71 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.287 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -116.4 -1.05 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 15.0 111.812 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.23 121.74 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.315 -0.624 . . . . 15.0 109.315 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -67.24 118.28 54.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 111.504 0.187 . . . . 15.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.127 2.551 . . . . 15.0 112.374 176.032 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 121.03 0.443 . . . . 15.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -96.69 -23.12 16.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.705 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.493 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 8.3 m95 -106.17 119.8 40.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.679 -0.237 . . . . 15.0 110.611 -175.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.664 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -92.67 109.71 21.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.331 -0.231 . . . . 15.0 110.956 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.76 92.31 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.273 -1.01 . . . . 15.0 108.273 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -123.94 145.34 49.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.492 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -120.43 118.48 30.41 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.024 0.44 . . . . 15.0 110.696 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.6 t -89.79 150.26 22.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.07 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.95 -6.09 3.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.163 0.431 . . . . 15.0 112.163 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.09 -9.16 54.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.42 0.628 . . . . 15.0 110.077 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 27.52 21.95 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.663 -0.699 . . . . 15.0 111.548 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -124.67 117.89 25.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 15.0 110.863 -176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.3 m -89.9 101.11 13.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.762 -0.829 . . . . 15.0 108.762 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -105.84 145.3 31.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.61 -0.436 . . . . 15.0 110.566 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.5 m-85 -111.39 97.93 7.11 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.554 -0.748 . . . . 15.0 109.481 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -89.45 133.57 34.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.473 0.654 . . . . 15.0 110.653 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.493 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 48.7 t-20 -89.63 115.42 27.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.81 -1.087 . . . . 15.0 109.262 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.66 -5.45 51.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 15.0 110.055 -173.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.734 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 1.7 mmp_? -105.12 -21.25 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.465 0.543 . . . . 15.0 112.465 -177.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -120.12 -0.31 10.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.611 0.243 . . . . 15.0 110.942 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.1 mt 60.09 31.69 20.68 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.711 0.767 . . . . 15.0 109.775 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 41.4 tt0 -101.75 149.66 23.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.687 -1.142 . . . . 15.0 109.851 -173.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 p -110.65 108.08 17.87 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.925 0.393 . . . . 15.0 110.418 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 19.0 m -113.29 121.6 44.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -113.56 5.75 16.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.312 0.577 . . . . 15.0 111.354 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 62.8 mm-40 -116.61 127.03 54.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.27 -0.877 . . . . 15.0 108.653 170.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.2 mtpp -73.95 117.24 59.69 Favored Pre-proline 0 N--CA 1.467 0.414 0 N-CA-C 111.877 0.325 . . . . 15.0 111.877 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 33.0 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 122.41 2.073 . . . . 15.0 111.568 169.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 121.274 0.559 . . . . 15.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.13 110.67 23.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.979 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -136.28 141.94 43.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.457 -0.338 . . . . 15.0 110.654 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 65.0 m -89.71 91.49 8.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.95 100.32 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.686 -0.857 . . . . 15.0 108.686 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -130.66 149.17 52.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -103.95 121.06 42.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.479 0.656 . . . . 15.0 111.139 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -89.59 150.2 22.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.209 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.07 -3.5 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.367 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.71 -2.21 31.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.335 0.588 . . . . 15.0 110.04 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.42 17.53 Favored Glycine 0 CA--C 1.509 -0.298 0 CA-C-N 115.784 -0.644 . . . . 15.0 112.273 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -138.41 132.18 31.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.941 0.4 . . . . 15.0 110.615 -175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 m -89.74 99.68 12.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -90.08 140.2 29.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.608 -0.437 . . . . 15.0 110.009 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.78 103.43 11.96 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.836 -0.802 . . . . 15.0 108.836 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -89.2 127.41 35.75 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.31 0.576 . . . . 15.0 110.662 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.46 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 36.1 t-20 -90.02 111.83 23.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.111 -0.949 . . . . 15.0 109.139 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.05 0.44 55.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.554 0.692 . . . . 15.0 109.646 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -79.98 -56.95 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.357 -0.838 . . . . 15.0 109.79 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 35.4 p -110.01 0.31 18.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.935 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 452' ' ' THR . 9.5 mp 70.45 34.42 2.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.641 0.734 . . . . 15.0 110.061 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.8 tt0 -90.06 145.22 25.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.905 -1.043 . . . . 15.0 109.956 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.507 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 78.5 p -94.91 108.37 20.41 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.927 -0.768 . . . . 15.0 108.927 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 24.2 m -99.87 119.55 38.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.397 -173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.507 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 69.0 m95 -120.94 7.62 10.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.219 0.533 . . . . 15.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -119.87 120.18 35.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.153 -1.054 . . . . 15.0 108.153 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -65.02 117.12 36.13 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 111.977 0.362 . . . . 15.0 111.977 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.92 2.414 . . . . 15.0 112.134 175.668 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.103 0.478 . . . . 15.0 110.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HG3' ' HG3' ' A' ' 451' ' ' ARG . 1.4 pm0 -80.15 -6.4 57.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.39 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 48.9 m95 -91.17 113.75 26.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.489 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.5 m -90.11 110.98 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 15.0 111.518 -177.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -92.1 90.36 7.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.014 -0.735 . . . . 15.0 109.014 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 42.0 ttm180 -105.37 126.38 52.04 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.08 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.38 112.15 23.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.96 0.8 . . . . 15.0 110.345 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 444' ' ' LYS . 5.9 t -89.86 149.96 22.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.114 0.483 . . . . 15.0 110.194 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.91 -8.02 9.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.319 -0.855 . . . . 15.0 112.929 -171.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.52 -7.3 37.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.565 0.698 . . . . 15.0 110.048 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.37 15.24 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.647 -0.706 . . . . 15.0 112.439 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 440' ' ' THR . 13.4 pttm -150.03 146.17 26.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 15.0 110.961 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.6 t -97.57 144.99 26.69 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.687 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.568 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 38.2 p90 -125.91 134.12 51.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 436' ' ' THR . 12.9 m-85 -93.24 89.9 6.6 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.381 0.61 . . . . 15.0 109.801 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -89.79 123.64 33.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.987 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.429 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 12.5 t-20 -106.28 142.33 36.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 15.0 111.214 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -106.33 8.52 31.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.272 0.558 . . . . 15.0 110.289 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.476 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 35.0 mmt180 -79.38 -63.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.171 0.51 . . . . 15.0 110.491 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.1 p -107.12 -0.01 23.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.341 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 63.2 65.62 0.77 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.322 -0.854 . . . . 15.0 109.461 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -123.13 140.78 52.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.963 -1.017 . . . . 15.0 110.123 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.5 t -106.39 100.77 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.233 -0.654 . . . . 15.0 109.233 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.68 144.26 30.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.354 -175.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 73.7 m95 -125.14 1.3 7.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.345 0.869 . . . . 15.0 113.345 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.08 136.92 54.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -82.15 121.71 78.99 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.585 0.231 . . . . 15.0 111.346 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.759 2.306 . . . . 15.0 111.792 175.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.249 -0.649 . . . . 15.0 109.249 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -93.18 -33.17 14.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.873 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.467 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 15.0 m95 -106.7 116.49 32.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.984 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.9 m -90.1 105.76 18.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.747 0.308 . . . . 15.0 110.448 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.72 99.92 12.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -124.31 139.75 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.501 -0.318 . . . . 15.0 110.258 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -103.82 115.05 29.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.622 0.647 . . . . 15.0 110.542 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.4 t -89.83 150.0 22.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.212 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.97 1.61 2.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.467 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.23 -11.26 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.384 0.612 . . . . 15.0 109.694 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 27.82 19.99 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.155 -0.778 . . . . 15.0 111.155 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -138.29 134.9 34.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 15.0 110.97 -174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.6 m -97.73 103.99 15.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 171.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -100.23 143.76 30.06 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.906 0.384 . . . . 15.0 110.307 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -107.67 94.27 4.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.449 0.643 . . . . 15.0 109.539 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -89.37 127.48 35.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.411 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.467 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 18.6 t30 -90.04 120.45 31.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.62 -0.718 . . . . 15.0 109.592 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.05 -3.13 58.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.905 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -82.41 -40.86 20.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.251 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 m -120.07 -0.08 10.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.603 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 62.8 29.36 16.68 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.826 0.822 . . . . 15.0 109.082 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -89.93 134.84 33.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.279 -1.328 . . . . 15.0 109.931 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 t -98.41 108.32 20.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.715 -0.394 . . . . 15.0 109.974 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 17.8 m -107.13 120.72 42.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.817 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -115.78 3.92 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.304 0.573 . . . . 15.0 111.368 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -120.15 123.46 43.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.542 -0.911 . . . . 15.0 108.542 170.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 22.4 mtpt -62.09 124.51 82.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.973 -0.291 . . . . 15.0 110.591 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.245 0.875 0 C-N-CA 122.518 2.145 . . . . 15.0 111.535 177.476 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.449 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 3.5 mp0 -94.82 -37.7 11.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.631 0.65 . . . . 15.0 110.048 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.457 ' HZ3' ' ND2' ' A' ' 449' ' ' ASN . 30.0 m95 -117.18 135.1 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.682 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.562 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.8 m -97.49 101.07 12.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 172.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HG3' ' HD1' ' A' ' 447' ' ' TYR . 27.8 mp0 -89.69 95.95 10.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.642 -0.873 . . . . 15.0 108.642 176.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.65 146.26 50.92 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.902 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -99.61 124.39 44.78 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.12 0.486 . . . . 15.0 110.043 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.5 t -89.59 150.27 22.47 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.593 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -14.93 17.24 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.917 0.71 . . . . 15.0 112.917 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.25 -7.29 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.211 0.529 . . . . 15.0 110.659 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 34.59 7.98 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.973 -0.632 . . . . 15.0 112.336 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -124.49 130.33 52.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.7 0.286 . . . . 15.0 110.411 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.5 m -89.99 97.46 11.2 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 15.0 108.843 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -103.04 146.76 27.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.094 0.474 . . . . 15.0 110.604 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.562 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.4 m-85 -112.03 101.0 9.32 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.436 -0.802 . . . . 15.0 109.522 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.14 130.18 35.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 15.0 110.487 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 49.4 t-20 -89.94 115.6 27.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.179 -0.919 . . . . 15.0 109.844 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -99.86 1.61 43.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.146 0.498 . . . . 15.0 110.398 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.449 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 39.6 mmt180 -91.08 -43.76 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.267 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 m -117.38 0.01 12.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 15.0 111.017 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 86.6 mt 60.5 75.0 0.43 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.52 0.676 . . . . 15.0 110.034 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -142.39 144.4 33.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.22 -172.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t -95.94 99.5 11.28 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.701 -0.851 . . . . 15.0 108.701 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 m -107.33 102.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.28 0.562 . . . . 15.0 111.183 -171.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -104.42 7.63 35.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.683 0.754 . . . . 15.0 110.207 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.24 131.27 54.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.833 -1.076 . . . . 15.0 109.213 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.556 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 7.4 mtpm? -74.55 126.73 88.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 15.0 111.722 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.752 2.302 . . . . 15.0 111.947 176.055 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 121.222 0.535 . . . . 15.0 110.694 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.68 -13.26 56.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.799 0.809 . . . . 15.0 109.355 176.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 51.8 m95 -114.14 150.22 34.47 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.352 -1.294 . . . . 15.0 109.265 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 88.2 m -89.11 90.87 8.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.528 -0.915 . . . . 15.0 108.528 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -89.94 89.92 7.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 15.0 109.135 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.77 145.95 50.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 15.0 109.55 -173.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -117.22 124.96 50.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.787 -0.57 . . . . 15.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 150.1 22.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.847 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -2.1 2.51 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.32 -5.43 39.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.242 0.544 . . . . 15.0 109.661 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 33.57 8.87 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 115.586 -0.734 . . . . 15.0 112.508 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.69 128.37 20.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.763 0.316 . . . . 15.0 110.905 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.6 m -89.78 116.85 28.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.85 149.5 38.52 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.318 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.2 m-85 -119.16 100.98 7.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.316 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.463 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 89.2 t80 -89.31 128.58 35.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.304 0.573 . . . . 15.0 111.125 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 43.7 t-20 -89.72 111.36 22.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.249 -0.887 . . . . 15.0 109.042 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.5 -2.0 54.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.325 0.583 . . . . 15.0 110.24 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -84.06 -39.88 19.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.4 m -120.03 0.13 10.69 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.465 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.1 mt 67.65 32.72 5.35 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.477 0.656 . . . . 15.0 110.221 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 35.6 tt0 -89.82 148.21 23.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.272 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 t -111.97 102.6 10.83 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -94.67 117.15 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.058 -174.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -116.42 2.14 13.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 15.0 111.244 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -120.14 117.39 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.532 ' HB3' ' HZ1' ' A' ' 459' ' ' LYS . 6.5 mtmp? -59.94 122.81 68.56 Favored Pre-proline 0 N--CA 1.465 0.28 0 O-C-N 123.189 0.305 . . . . 15.0 111.809 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 121.949 1.766 . . . . 15.0 111.434 168.223 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 1.5 pm0 -73.71 -13.86 61.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.432 0.634 . . . . 15.0 109.609 172.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -92.08 137.75 32.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 448' ' ' TYR . 89.9 m -90.01 99.83 12.76 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.506 -0.478 . . . . 15.0 109.813 174.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.69 95.67 10.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.407 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 76.3 ttt180 -122.73 115.27 21.77 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.047 -171.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.98 111.9 23.13 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.334 0.97 . . . . 15.0 110.542 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.5 t -89.96 150.0 22.34 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.57 -2.15 6.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.357 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.28 -13.25 57.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.35 0.595 . . . . 15.0 109.718 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 29.25 16.06 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.992 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -141.36 141.47 33.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 15.0 110.815 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 53.9 m -102.82 107.62 18.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.193 -0.669 . . . . 15.0 109.193 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.407 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 14.8 p90 -99.71 145.33 27.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.685 -0.406 . . . . 15.0 110.307 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.18 103.93 12.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.817 -0.629 . . . . 15.0 109.675 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.585 ' HH ' HD21 ' A' ' 453' ' ' LEU . 81.1 t80 -89.41 132.8 34.82 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.357 0.598 . . . . 15.0 110.884 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.821 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 46.9 t-20 -89.77 118.83 29.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.169 -0.923 . . . . 15.0 109.191 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -98.39 -5.35 32.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.669 0.271 . . . . 15.0 111.04 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -84.49 -41.91 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.4 m -114.73 -0.83 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.496 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.585 HD21 ' HH ' ' A' ' 448' ' ' TYR . 81.4 mt 57.37 75.02 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.976 -173.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 10.6 tt0 -132.23 149.58 52.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.122 -0.945 . . . . 15.0 110.376 -169.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.3 t -97.31 98.93 10.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.9 m -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 15.0 110.841 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -117.68 8.51 12.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.426 0.631 . . . . 15.0 111.235 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -119.77 128.38 53.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.323 -0.992 . . . . 15.0 108.323 168.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.86 122.68 80.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 111.501 0.185 . . . . 15.0 111.501 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.96 2.44 . . . . 15.0 111.974 177.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 120.93 0.395 . . . . 15.0 110.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.02 -40.71 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.707 -0.849 . . . . 15.0 108.707 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -130.57 123.26 29.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.101 -0.954 . . . . 15.0 109.225 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.495 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 86.6 m -89.89 105.05 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.785 0.326 . . . . 15.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.94 91.92 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.516 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.2 ttm180 -105.33 132.18 51.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.727 -175.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -89.93 116.2 27.81 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.959 0.799 . . . . 15.0 110.322 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.74 140.44 29.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.922 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.89 -10.49 21.12 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.299 0.481 . . . . 15.0 112.299 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.62 -8.91 30.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.151 0.501 . . . . 15.0 110.798 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 28.0 19.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.065 -0.588 . . . . 15.0 111.984 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.407 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 10.0 pttm -141.5 130.08 22.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.94 0.4 . . . . 15.0 110.393 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.9 m -90.19 118.12 29.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.74 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.516 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 34.3 p90 -102.65 136.57 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.319 -0.552 . . . . 15.0 110.193 -178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.0 m-85 -99.39 91.55 4.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.306 0.574 . . . . 15.0 109.668 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.404 ' O ' ' HB ' ' A' ' 436' ' ' THR . 28.1 t80 -89.54 121.37 31.69 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.497 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.546 HD22 ' HB2' ' A' ' 451' ' ' ARG . 10.4 t-20 -94.35 131.02 40.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.709 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.8 -6.33 46.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.709 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.546 ' HB2' HD22 ' A' ' 449' ' ' ASN . 23.1 mmt180 -70.65 -68.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.231 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 454' ' ' GLU . 10.4 t -100.68 0.35 38.91 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 86.7 mt 70.24 44.91 0.7 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.716 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.465 ' HB2' HG22 ' A' ' 452' ' ' THR . 33.8 tt0 -93.02 138.37 31.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.08 -0.964 . . . . 15.0 110.573 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -92.79 101.84 14.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.385 -0.969 . . . . 15.0 108.385 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 8.2 m -100.8 124.38 46.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.206 -173.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.407 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 57.6 m95 -122.52 4.18 9.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.053 0.454 . . . . 15.0 111.84 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -115.26 120.79 40.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -75.4 118.79 73.4 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 121.045 -0.262 . . . . 15.0 111.065 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 123.05 2.5 . . . . 15.0 112.114 178.468 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.126 -0.324 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.37 -50.8 42.82 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.398 -0.593 . . . . 15.0 109.398 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 42.8 m95 -109.83 129.32 55.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 173.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.588 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.8 m -89.65 104.39 16.95 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.93 -0.308 . . . . 15.0 110.87 -178.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.77 102.65 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -143.51 142.48 31.15 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.108 -0.701 . . . . 15.0 109.108 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.774 ' HZ2' ' HB3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -102.68 123.17 45.89 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.868 0.842 . . . . 15.0 111.015 -178.378 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 7.2 t -89.7 150.4 22.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.156 -1.383 . . . . 15.0 109.785 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.0 -3.74 0.62 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.303 0.482 . . . . 15.0 112.303 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.62 -13.1 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.458 0.647 . . . . 15.0 109.997 171.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.32 10.89 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.595 -0.729 . . . . 15.0 112.313 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 15.0 111.441 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.5 m -89.94 100.27 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.054 -0.721 . . . . 15.0 109.054 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -103.29 142.54 34.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.612 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.5 m-85 -108.76 99.2 8.59 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.751 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -89.68 128.67 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.326 0.584 . . . . 15.0 110.591 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 17.1 t30 -102.08 126.51 49.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.175 -0.921 . . . . 15.0 110.261 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.65 -13.74 36.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 15.0 110.462 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.37 -41.97 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.046 -0.524 . . . . 15.0 110.753 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 -0.15 10.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.132 -176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.5 mt 62.16 25.9 15.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.918 0.866 . . . . 15.0 109.363 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -89.93 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.065 -1.425 . . . . 15.0 110.564 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.542 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.3 m -102.7 110.43 22.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.647 -0.421 . . . . 15.0 110.509 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.5 m -103.21 122.37 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.542 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 42.0 m95 -112.71 1.16 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 15.0 111.625 -174.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.76 132.22 56.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.353 172.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -72.58 119.82 77.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.919 -0.312 . . . . 15.0 111.693 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.8 2.333 . . . . 15.0 111.502 169.583 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.377 0.132 . . . . 15.0 110.809 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -39.77 81.68 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.867 0.841 . . . . 15.0 108.926 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.525 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 32.5 m95 -93.54 144.88 24.95 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.298 -1.319 . . . . 15.0 108.065 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.9 m -89.69 100.09 12.97 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.243 -0.651 . . . . 15.0 109.243 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -89.98 90.14 8.02 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -117.15 129.59 56.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.003 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -89.93 113.58 25.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 119.209 0.913 . . . . 15.0 108.987 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 m -89.74 141.0 29.03 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.131 -175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.87 3.36 3.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.51 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -84.24 6.59 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.886 0.851 . . . . 15.0 109.389 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.19 19.6 56.91 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.133 -0.94 . . . . 15.0 113.011 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -145.9 134.22 21.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.852 0.358 . . . . 15.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.4 m -92.06 120.19 32.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.187 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.441 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.4 p90 -108.17 149.89 27.95 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.639 -0.424 . . . . 15.0 110.664 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.593 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-85 -116.96 93.63 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.375 0.607 . . . . 15.0 109.641 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.65 120.2 30.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 15.0 111.032 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.525 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t30 -95.54 130.56 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.97 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -100.2 -3.75 30.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.177 0.513 . . . . 15.0 110.256 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 449' ' ' ASN . 50.2 mmt-85 -71.41 -44.22 65.29 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.999 0.428 . . . . 15.0 110.97 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -119.74 0.23 10.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.368 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.0 mt 59.06 71.63 0.57 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.806 0.812 . . . . 15.0 109.258 -170.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -133.88 121.38 21.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.682 -1.144 . . . . 15.0 109.845 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.5 t -89.79 100.21 13.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.424 -0.584 . . . . 15.0 109.424 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.8 m -105.5 117.15 33.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.367 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.441 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 39.1 m95 -105.36 -1.4 25.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.337 0.589 . . . . 15.0 110.427 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.79 149.9 26.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.566 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -92.53 120.03 67.66 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 120.48 -0.488 . . . . 15.0 111.179 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.248 0.978 0 C-N-CA 122.786 2.324 . . . . 15.0 111.861 175.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.14 0.495 . . . . 15.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.6 OUTLIER -91.85 -12.96 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.286 -176.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -91.05 132.97 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.375 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.6 m -105.15 108.02 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.448 -0.101 . . . . 15.0 111.098 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.428 ' HG3' ' CD1' ' A' ' 447' ' ' TYR . 12.5 mp0 -89.63 93.55 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.114 -0.699 . . . . 15.0 109.114 173.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 79.8 ttt180 -99.37 128.39 45.48 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.381 -0.6 . . . . 15.0 109.381 -177.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -89.65 107.08 18.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 119.485 1.038 . . . . 15.0 109.203 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.474 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 1.4 m -89.75 144.22 26.15 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.472 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.55 -0.74 4.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.37 0.508 . . . . 15.0 112.37 -173.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.58 -4.33 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.479 0.657 . . . . 15.0 109.732 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 20.15 44.05 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.629 -0.714 . . . . 15.0 111.708 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -127.92 128.99 46.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 15.0 110.877 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.2 m -93.13 98.82 11.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.981 -0.748 . . . . 15.0 108.981 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 9.1 p90 -98.8 146.28 26.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.242 0.544 . . . . 15.0 110.602 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 7.9 m-85 -104.97 102.78 12.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.553 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -89.2 121.63 31.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.17 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.442 HD22 ' HB2' ' A' ' 451' ' ' ARG . 30.4 t30 -104.92 128.11 53.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.142 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.75 -9.22 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.967 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.442 ' HB2' HD22 ' A' ' 449' ' ' ASN . 26.3 mmm180 -66.07 -46.75 76.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.889 0.376 . . . . 15.0 111.162 -178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.4 p -119.81 -0.01 10.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.965 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 452' ' ' THR . 96.8 mt 69.75 31.43 3.54 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.868 0.73 . . . . 15.0 109.728 -174.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.86 136.74 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.12 -0.945 . . . . 15.0 110.66 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 t -99.29 103.81 15.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 m -102.0 125.74 48.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.1 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -115.53 -2.94 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.116 0.413 . . . . 15.0 112.116 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -120.21 137.9 53.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.865 -0.791 . . . . 15.0 108.865 168.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 10.1 mtpm? -70.0 126.03 92.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 15.0 112.186 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--O 1.246 0.89 0 C-N-CA 123.447 2.765 . . . . 15.0 112.217 177.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.981 0.419 . . . . 15.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.452 -0.944 . . . . 15.0 108.452 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 41.7 m95 -117.45 145.79 43.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.552 -1.203 . . . . 15.0 108.462 173.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.7 m -90.03 102.06 14.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.272 -0.27 . . . . 15.0 110.272 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.91 102.61 15.32 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -136.13 150.04 48.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.02 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -100.73 121.57 41.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.222 0.534 . . . . 15.0 110.288 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.88 150.24 22.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.698 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -12.0 6.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.084 -0.507 . . . . 15.0 112.237 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.63 -7.52 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.234 0.54 . . . . 15.0 110.4 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 35.62 7.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.113 -0.565 . . . . 15.0 112.328 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 130.5 36.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.747 0.308 . . . . 15.0 110.848 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.7 m -89.98 93.78 9.54 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.622 -0.881 . . . . 15.0 108.622 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -100.97 144.19 30.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.69 -173.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 26.0 m-85 -103.9 99.44 9.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.966 -177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -89.62 121.25 31.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.32 0.581 . . . . 15.0 110.148 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 38.1 t30 -90.01 130.36 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.786 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.451 ' H ' HD21 ' A' ' 450' ' ' ASN . 0.1 OUTLIER -96.06 -5.57 40.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -72.98 -64.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.891 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 27.5 p -106.37 -0.21 24.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.975 0.417 . . . . 15.0 110.742 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 8.8 mp 63.6 74.88 0.41 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.226 -0.897 . . . . 15.0 109.986 -172.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.98 137.71 51.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.242 -0.89 . . . . 15.0 109.061 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.776 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 43.6 m -96.99 102.11 13.82 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.585 -0.446 . . . . 15.0 110.235 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 m -98.73 112.72 24.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.961 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.776 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 43.1 m95 -107.73 -3.69 18.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 15.0 111.416 -174.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.03 131.11 55.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.373 -0.973 . . . . 15.0 108.373 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.791 ' HZ2' ' HB3' ' A' ' 459' ' ' LYS . 3.6 mtpm? -63.33 126.58 89.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 113.789 1.033 . . . . 15.0 113.789 -170.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.253 1.274 0 C-N-CA 122.546 2.164 . . . . 15.0 111.12 164.799 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.625 0.25 . . . . 15.0 111.444 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.519 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 9.7 pt-20 -82.1 -16.73 48.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.4 . . . . 15.0 110.766 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.555 ' HZ3' HD21 ' A' ' 449' ' ' ASN . 11.2 m95 -100.49 120.94 40.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 15.0 110.627 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.4 m -89.98 90.46 8.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.9 95.4 10.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.03 -0.73 . . . . 15.0 109.03 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -126.58 149.95 49.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.367 -0.833 . . . . 15.0 110.247 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 47.6 mtpt -95.08 125.03 39.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.093 0.473 . . . . 15.0 110.498 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.54 150.07 22.6 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.09 -10.92 4.89 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 -171.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.428 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 15.5 t70 -73.22 -8.86 57.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.479 0.657 . . . . 15.0 110.001 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 28.14 18.98 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.697 -0.683 . . . . 15.0 112.147 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.428 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 58.5 mttm -122.2 133.24 54.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.778 0.323 . . . . 15.0 110.399 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 m -90.01 101.06 13.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.465 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.5 p90 -100.21 139.09 36.37 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.892 -0.323 . . . . 15.0 110.57 -174.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.5 98.45 8.22 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.323 -0.621 . . . . 15.0 109.323 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.35 132.75 34.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.544 0.687 . . . . 15.0 110.499 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.555 HD21 ' HZ3' ' A' ' 435' ' ' TRP . 8.1 t-20 -89.67 125.79 35.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.405 -175.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.49 -4.7 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.282 0.563 . . . . 15.0 110.054 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 17.1 mtm180 -72.53 -58.59 3.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.072 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 5.5 m -119.81 0.1 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.027 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 452' ' ' THR . 8.8 mp 69.55 75.11 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.98 0.895 . . . . 15.0 109.414 -172.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.6 tt0 -131.4 150.04 52.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.515 -1.22 . . . . 15.0 109.028 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.432 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 69.4 p -103.19 111.21 23.48 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.382 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.1 m -111.7 126.53 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.96 -0.385 . . . . 15.0 109.96 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.1 m95 -120.96 6.25 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.495 -0.482 . . . . 15.0 112.237 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -120.07 130.73 54.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.95 -0.759 . . . . 15.0 108.95 170.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -75.84 116.67 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.057 0.392 . . . . 15.0 112.057 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 C--O 1.248 0.997 0 C-N-CA 122.591 2.194 . . . . 15.0 111.426 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.318 -0.252 . . . . 15.0 110.318 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.26 -21.13 18.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.276 0.56 . . . . 15.0 110.293 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.405 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 38.9 m95 -96.18 137.39 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.495 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 97.1 m -89.47 99.54 12.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.939 -0.393 . . . . 15.0 109.939 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.99 93.27 9.34 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.465 ' HD2' ' HH ' ' A' ' 446' ' ' TYR . 43.0 ttm180 -115.37 137.9 51.56 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.227 -0.897 . . . . 15.0 109.351 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.35 116.09 28.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.568 0.622 . . . . 15.0 110.878 -175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.465 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 0.2 OUTLIER -89.69 139.39 30.61 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.586 172.477 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.04 -10.62 10.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.55 -5.28 41.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.076 0.465 . . . . 15.0 110.816 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.9 37.39 6.84 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.231 -0.748 . . . . 15.0 111.231 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.88 124.48 19.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.27 -0.465 . . . . 15.0 110.239 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 m -90.6 99.91 12.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 171.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.465 ' HD1' ' OG1' ' A' ' 440' ' ' THR . 28.0 p90 -93.72 145.31 24.67 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.282 -0.567 . . . . 15.0 110.689 -173.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.547 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.2 m-85 -106.49 101.52 10.98 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.497 -0.774 . . . . 15.0 109.857 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -89.04 122.65 32.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 15.0 110.597 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 47.9 t-20 -89.89 116.31 27.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.898 -1.046 . . . . 15.0 108.833 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -91.15 -3.36 57.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.482 . . . . 15.0 110.323 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -82.99 -40.84 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.159 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.7 m -120.1 0.04 10.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.884 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.58 27.35 14.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.45 0.643 . . . . 15.0 110.126 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 26.1 tt0 -90.08 150.33 22.11 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.501 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 m -112.25 108.37 17.56 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.017 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 137.46 38.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.812 . . . . 15.0 108.806 -177.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -125.5 9.56 7.81 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.431 -0.508 . . . . 15.0 112.179 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.33 136.76 54.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.176 -0.676 . . . . 15.0 109.176 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -83.86 117.37 68.5 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 120.905 -0.318 . . . . 15.0 110.929 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.776 2.318 . . . . 15.0 111.84 172.617 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.476 0.849 0 CA-C-O 121.145 0.498 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 451' ' ' ARG . 2.4 mp0 -96.87 -13.06 22.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.803 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -118.51 128.02 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.945 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.2 m -97.69 110.55 23.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.462 0.172 . . . . 15.0 111.049 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.53 93.07 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.908 -1.145 . . . . 15.0 107.908 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -116.7 146.07 43.02 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.825 -0.35 . . . . 15.0 110.787 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.39 122.3 44.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.142 0.496 . . . . 15.0 110.444 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 444' ' ' LYS . 11.6 t -89.75 149.99 22.49 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.973 174.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.57 -2.38 4.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 15.0 112.081 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.89 -3.16 50.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.508 0.67 . . . . 15.0 109.707 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.96 37.24 8.54 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.733 -0.667 . . . . 15.0 112.417 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 440' ' ' THR . 57.8 mttp -141.44 135.89 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.824 0.345 . . . . 15.0 110.836 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -90.07 129.71 36.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.411 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.2 p90 -131.03 148.18 52.72 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.041 0.448 . . . . 15.0 110.465 -176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.555 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.6 m-85 -104.26 100.57 10.29 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.627 0.727 . . . . 15.0 109.933 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -89.26 131.95 35.13 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.518 0.675 . . . . 15.0 110.366 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.605 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 41.4 t-20 -90.03 114.39 26.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.794 -1.094 . . . . 15.0 109.37 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -95.76 -2.4 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 15.0 110.061 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HD3' ' HB3' ' A' ' 434' ' ' GLU . 59.6 mtm180 -76.07 -51.21 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.696 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.2 t -120.09 0.03 10.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.295 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 44.4 mt 68.64 75.31 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.562 0.696 . . . . 15.0 109.903 -174.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 38.5 tt0 -135.82 149.49 49.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 15.0 109.553 -172.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.7 t -102.06 111.58 23.9 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.452 -0.573 . . . . 15.0 109.452 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.0 m -119.88 119.1 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.332 0.587 . . . . 15.0 110.98 -174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.411 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 33.4 m95 -115.72 6.62 14.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.375 0.607 . . . . 15.0 110.912 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.55 131.34 56.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 15.0 108.651 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -76.83 121.06 84.14 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.376 -0.53 . . . . 15.0 110.713 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.826 2.351 . . . . 15.0 111.592 176.816 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.129 0.49 . . . . 15.0 110.691 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -87.18 -4.91 59.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.076 -176.039 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.783 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 19.6 m95 -104.29 121.81 44.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.836 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 73.6 m -93.47 103.5 15.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.204 -0.31 . . . . 15.0 110.611 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.04 99.96 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.505 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.7 ttm180 -109.5 139.45 44.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.385 -0.37 . . . . 15.0 110.278 -176.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.12 101.17 13.88 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.467 0.576 . . . . 15.0 110.171 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 139.71 30.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.112 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.57 -2.99 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 15.0 111.579 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.38 -1.71 11.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.475 0.655 . . . . 15.0 110.296 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.81 24.51 29.97 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.542 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -141.82 127.49 19.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.696 0.284 . . . . 15.0 110.709 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.8 m -95.86 99.07 10.91 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.46 -0.941 . . . . 15.0 108.46 170.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.505 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 36.4 p90 -90.15 150.14 22.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 120.783 -0.367 . . . . 15.0 110.939 -172.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.8 m-85 -115.99 95.73 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.198 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.91 129.83 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.811 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.783 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 7.2 t-20 -90.1 132.66 35.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.675 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -107.11 3.85 26.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.745 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.681 ' HB2' HD22 ' A' ' 449' ' ' ASN . 5.3 mmp_? -86.71 -49.02 7.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 p -119.64 0.12 10.9 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.846 0.355 . . . . 15.0 110.697 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 68.89 75.19 0.25 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.347 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -133.86 139.25 46.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.796 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.762 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 45.3 p -95.47 103.06 14.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 174.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 m -100.63 115.38 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 15.0 110.171 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.762 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 49.1 m95 -111.74 7.1 20.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.339 0.59 . . . . 15.0 111.042 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -119.86 134.09 55.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.401 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 38.7 mtpt -78.75 121.22 83.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 111.694 0.257 . . . . 15.0 111.694 -175.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.528 2.152 . . . . 15.0 111.742 170.56 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.537 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 58.7 m95 . . . . . 0 C--O 1.234 0.277 0 N-CA-C 109.875 -0.417 . . . . 15.0 109.875 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.5 m -89.86 100.7 13.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.156 0.503 . . . . 15.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.08 98.17 11.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 37.7 ttm180 -123.12 149.23 44.78 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -94.85 119.73 33.91 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.186 0.517 . . . . 15.0 111.013 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 446' ' ' TYR . 9.9 t -89.83 150.2 22.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.563 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 -12.13 5.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.84 0.682 . . . . 15.0 112.84 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.86 -8.73 46.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.324 0.583 . . . . 15.0 110.257 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.81 34.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.584 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -122.04 138.56 54.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.808 0.337 . . . . 15.0 110.621 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.9 m -89.91 98.21 11.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 19.6 p90 -92.26 139.54 30.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.749 -0.38 . . . . 15.0 110.31 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.7 m-85 -101.52 91.78 4.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.403 ' O ' ' HB ' ' A' ' 436' ' ' THR . 66.9 t80 -89.49 133.51 34.53 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.18 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.537 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 11.8 t30 -113.19 113.57 25.54 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.045 -0.98 . . . . 15.0 110.495 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -104.82 2.63 30.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.463 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.67 -46.62 45.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.248 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -119.25 0.19 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.028 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.9 mt 70.68 75.12 0.2 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.244 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -150.03 141.56 23.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.859 -176.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -101.91 115.58 30.84 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.257 -0.277 . . . . 15.0 110.375 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.7 m -112.68 125.71 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.287 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.3 m95 -116.4 -1.05 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 15.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.23 121.74 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.315 -0.624 . . . . 15.0 109.315 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -67.24 118.28 54.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 111.504 0.187 . . . . 15.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.127 2.551 . . . . 15.0 112.374 176.032 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 8.3 m95 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.611 -0.144 . . . . 15.0 110.611 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -92.67 109.71 21.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.331 -0.231 . . . . 15.0 110.956 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.76 92.31 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.273 -1.01 . . . . 15.0 108.273 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -123.94 145.34 49.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.492 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -120.43 118.48 30.41 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.024 0.44 . . . . 15.0 110.696 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.6 t -89.79 150.26 22.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.07 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.95 -6.09 3.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.163 0.431 . . . . 15.0 112.163 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.09 -9.16 54.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.42 0.628 . . . . 15.0 110.077 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 27.52 21.95 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.663 -0.699 . . . . 15.0 111.548 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -124.67 117.89 25.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 15.0 110.863 -176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.3 m -89.9 101.11 13.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.762 -0.829 . . . . 15.0 108.762 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -105.84 145.3 31.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.61 -0.436 . . . . 15.0 110.566 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.682 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.5 m-85 -111.39 97.93 7.11 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.554 -0.748 . . . . 15.0 109.481 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -89.45 133.57 34.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.473 0.654 . . . . 15.0 110.653 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.488 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 48.7 t-20 -89.63 115.42 27.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.81 -1.087 . . . . 15.0 109.262 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.66 -5.45 51.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 15.0 110.055 -173.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.728 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 1.7 mmp_? -105.12 -21.25 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.465 0.543 . . . . 15.0 112.465 -177.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -120.12 -0.31 10.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.611 0.243 . . . . 15.0 110.942 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.1 mt 60.09 31.69 20.68 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.711 0.767 . . . . 15.0 109.775 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 41.4 tt0 -101.75 149.66 23.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.687 -1.142 . . . . 15.0 109.851 -173.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 p -110.65 108.08 17.87 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.925 0.393 . . . . 15.0 110.418 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 19.0 m -113.29 121.6 44.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -113.56 5.75 16.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.312 0.577 . . . . 15.0 111.354 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.428 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 62.8 mm-40 -116.61 127.03 54.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.27 -0.877 . . . . 15.0 108.653 170.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.2 mtpp -73.95 117.24 59.69 Favored Pre-proline 0 N--CA 1.467 0.414 0 N-CA-C 111.877 0.325 . . . . 15.0 111.877 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 33.0 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 122.41 2.073 . . . . 15.0 111.568 169.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.8 m95 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.461 0.172 . . . . 15.0 110.654 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 65.0 m -89.71 91.49 8.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.95 100.32 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.686 -0.857 . . . . 15.0 108.686 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -130.66 149.17 52.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -103.95 121.06 42.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.479 0.656 . . . . 15.0 111.139 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -89.59 150.2 22.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.209 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.07 -3.5 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.367 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.71 -2.21 31.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.335 0.588 . . . . 15.0 110.04 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.42 17.53 Favored Glycine 0 CA--C 1.509 -0.298 0 CA-C-N 115.784 -0.644 . . . . 15.0 112.273 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -138.41 132.18 31.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.941 0.4 . . . . 15.0 110.615 -175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 m -89.74 99.68 12.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -90.08 140.2 29.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.608 -0.437 . . . . 15.0 110.009 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.78 103.43 11.96 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.836 -0.802 . . . . 15.0 108.836 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -89.2 127.41 35.75 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.31 0.576 . . . . 15.0 110.662 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 36.1 t-20 -90.02 111.83 23.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.111 -0.949 . . . . 15.0 109.139 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.05 0.44 55.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.554 0.692 . . . . 15.0 109.646 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -79.98 -56.95 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.357 -0.838 . . . . 15.0 109.79 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 35.4 p -110.01 0.31 18.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.935 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 452' ' ' THR . 9.5 mp 70.45 34.42 2.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.641 0.734 . . . . 15.0 110.061 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.8 tt0 -90.06 145.22 25.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.905 -1.043 . . . . 15.0 109.956 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.549 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 78.5 p -94.91 108.37 20.41 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.927 -0.768 . . . . 15.0 108.927 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 24.2 m -99.87 119.55 38.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.397 -173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 69.0 m95 -120.94 7.62 10.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.219 0.533 . . . . 15.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -119.87 120.18 35.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.153 -1.054 . . . . 15.0 108.153 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 28.6 mtpp -65.02 117.12 36.13 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 111.977 0.362 . . . . 15.0 111.977 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.92 2.414 . . . . 15.0 112.134 175.668 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 48.9 m95 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.5 m -90.11 110.98 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 15.0 111.518 -177.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -92.1 90.36 7.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.014 -0.735 . . . . 15.0 109.014 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.566 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 42.0 ttm180 -105.37 126.38 52.04 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.08 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 18.4 pttm -92.38 112.15 23.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.96 0.8 . . . . 15.0 110.345 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.9 t -89.86 149.96 22.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.114 0.483 . . . . 15.0 110.194 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.91 -8.02 9.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.319 -0.855 . . . . 15.0 112.929 -171.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.52 -7.3 37.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.565 0.698 . . . . 15.0 110.048 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.37 15.24 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.647 -0.706 . . . . 15.0 112.439 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 440' ' ' THR . 13.4 pttm -150.03 146.17 26.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 15.0 110.961 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.6 t -97.57 144.99 26.69 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.687 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.587 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 38.2 p90 -125.91 134.12 51.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.498 ' HA ' ' O ' ' A' ' 436' ' ' THR . 12.9 m-85 -93.24 89.9 6.6 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.381 0.61 . . . . 15.0 109.801 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -89.79 123.64 33.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.987 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 12.5 t-20 -106.28 142.33 36.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 15.0 111.214 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -106.33 8.52 31.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.272 0.558 . . . . 15.0 110.289 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.422 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 35.0 mmt180 -79.38 -63.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.171 0.51 . . . . 15.0 110.491 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.1 p -107.12 -0.01 23.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.341 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 63.2 65.62 0.77 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.322 -0.854 . . . . 15.0 109.461 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -123.13 140.78 52.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.963 -1.017 . . . . 15.0 110.123 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.5 t -106.39 100.77 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.233 -0.654 . . . . 15.0 109.233 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.68 144.26 30.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.354 -175.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 73.7 m95 -125.14 1.3 7.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.345 0.869 . . . . 15.0 113.345 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.08 136.92 54.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -82.15 121.71 78.99 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.585 0.231 . . . . 15.0 111.346 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.759 2.306 . . . . 15.0 111.792 175.837 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 15.0 m95 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.259 0.076 . . . . 15.0 110.984 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.9 m -90.1 105.76 18.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.747 0.308 . . . . 15.0 110.448 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.72 99.92 12.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.41 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.7 ttm180 -124.31 139.75 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.501 -0.318 . . . . 15.0 110.258 -173.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -103.82 115.05 29.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.622 0.647 . . . . 15.0 110.542 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.4 t -89.83 150.0 22.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.212 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.97 1.61 2.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.467 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.23 -11.26 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.384 0.612 . . . . 15.0 109.694 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 27.82 19.99 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.155 -0.778 . . . . 15.0 111.155 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -138.29 134.9 34.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 15.0 110.97 -174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.6 m -97.73 103.99 15.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 171.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.411 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 35.0 p90 -100.23 143.76 30.06 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.906 0.384 . . . . 15.0 110.307 -174.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 6.3 m-85 -107.67 94.27 4.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.449 0.643 . . . . 15.0 109.539 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -89.37 127.48 35.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.411 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.459 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 18.6 t30 -90.04 120.45 31.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.62 -0.718 . . . . 15.0 109.592 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.05 -3.13 58.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.905 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -82.41 -40.86 20.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.251 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 m -120.07 -0.08 10.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.603 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 62.8 29.36 16.68 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.826 0.822 . . . . 15.0 109.082 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -89.93 134.84 33.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.279 -1.328 . . . . 15.0 109.931 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 t -98.41 108.32 20.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.715 -0.394 . . . . 15.0 109.974 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 17.8 m -107.13 120.72 42.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.817 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.411 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 44.1 m95 -115.78 3.92 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.304 0.573 . . . . 15.0 111.368 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -120.15 123.46 43.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.542 -0.911 . . . . 15.0 108.542 170.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.471 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 22.4 mtpt -62.09 124.51 82.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.973 -0.291 . . . . 15.0 110.591 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.245 0.875 0 C-N-CA 122.518 2.145 . . . . 15.0 111.535 177.476 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.45 ' HZ3' ' ND2' ' A' ' 449' ' ' ASN . 30.0 m95 . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.8 m -97.49 101.07 12.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 172.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.425 ' HG3' ' HD1' ' A' ' 447' ' ' TYR . 27.8 mp0 -89.69 95.95 10.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.642 -0.873 . . . . 15.0 108.642 176.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.65 146.26 50.92 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.902 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -99.61 124.39 44.78 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.12 0.486 . . . . 15.0 110.043 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.5 t -89.59 150.27 22.47 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.593 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -14.93 17.24 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.917 0.71 . . . . 15.0 112.917 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.25 -7.29 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.211 0.529 . . . . 15.0 110.659 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 34.59 7.98 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.973 -0.632 . . . . 15.0 112.336 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -124.49 130.33 52.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.7 0.286 . . . . 15.0 110.411 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.5 m -89.99 97.46 11.2 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 15.0 108.843 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -103.04 146.76 27.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.094 0.474 . . . . 15.0 110.604 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.4 m-85 -112.03 101.0 9.32 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.436 -0.802 . . . . 15.0 109.522 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.14 130.18 35.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 15.0 110.487 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 49.4 t-20 -89.94 115.6 27.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.179 -0.919 . . . . 15.0 109.844 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -99.86 1.61 43.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.146 0.498 . . . . 15.0 110.398 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -91.08 -43.76 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.267 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 m -117.38 0.01 12.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 15.0 111.017 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 86.6 mt 60.5 75.0 0.43 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.52 0.676 . . . . 15.0 110.034 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -142.39 144.4 33.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.22 -172.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t -95.94 99.5 11.28 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.701 -0.851 . . . . 15.0 108.701 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 m -107.33 102.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.28 0.562 . . . . 15.0 111.183 -171.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -104.42 7.63 35.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.683 0.754 . . . . 15.0 110.207 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.24 131.27 54.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.833 -1.076 . . . . 15.0 109.213 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 7.4 mtpm? -74.55 126.73 88.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 15.0 111.722 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.752 2.302 . . . . 15.0 111.947 176.055 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 51.8 m95 . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 109.265 -0.642 . . . . 15.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 88.2 m -89.11 90.87 8.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.528 -0.915 . . . . 15.0 108.528 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -89.94 89.92 7.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 15.0 109.135 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.77 145.95 50.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 15.0 109.55 -173.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -117.22 124.96 50.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.787 -0.57 . . . . 15.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 150.1 22.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.847 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -2.1 2.51 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.32 -5.43 39.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.242 0.544 . . . . 15.0 109.661 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 33.57 8.87 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 115.586 -0.734 . . . . 15.0 112.508 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.69 128.37 20.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.763 0.316 . . . . 15.0 110.905 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.6 m -89.78 116.85 28.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.85 149.5 38.52 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.318 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.2 m-85 -119.16 100.98 7.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.316 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.476 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 89.2 t80 -89.31 128.58 35.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.304 0.573 . . . . 15.0 111.125 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.689 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 43.7 t-20 -89.72 111.36 22.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.249 -0.887 . . . . 15.0 109.042 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.5 -2.0 54.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.325 0.583 . . . . 15.0 110.24 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -84.06 -39.88 19.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.4 m -120.03 0.13 10.69 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.465 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.1 mt 67.65 32.72 5.35 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.477 0.656 . . . . 15.0 110.221 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 35.6 tt0 -89.82 148.21 23.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.272 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 t -111.97 102.6 10.83 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -94.67 117.15 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.058 -174.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -116.42 2.14 13.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 15.0 111.244 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -120.14 117.39 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -59.94 122.81 68.56 Favored Pre-proline 0 N--CA 1.465 0.28 0 O-C-N 123.189 0.305 . . . . 15.0 111.809 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 121.949 1.766 . . . . 15.0 111.434 168.223 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 57.4 m95 . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 448' ' ' TYR . 89.9 m -90.01 99.83 12.76 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.506 -0.478 . . . . 15.0 109.813 174.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.69 95.67 10.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.419 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 76.3 ttt180 -122.73 115.27 21.77 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.047 -171.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.98 111.9 23.13 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.334 0.97 . . . . 15.0 110.542 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.5 t -89.96 150.0 22.34 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.57 -2.15 6.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.357 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.28 -13.25 57.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.35 0.595 . . . . 15.0 109.718 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 29.25 16.06 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.992 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -141.36 141.47 33.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 15.0 110.815 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 53.9 m -102.82 107.62 18.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.193 -0.669 . . . . 15.0 109.193 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.419 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 14.8 p90 -99.71 145.33 27.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.685 -0.406 . . . . 15.0 110.307 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.18 103.93 12.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.817 -0.629 . . . . 15.0 109.675 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.549 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 81.1 t80 -89.41 132.8 34.82 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.357 0.598 . . . . 15.0 110.884 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.839 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 46.9 t-20 -89.77 118.83 29.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.169 -0.923 . . . . 15.0 109.191 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -98.39 -5.35 32.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.669 0.271 . . . . 15.0 111.04 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -84.49 -41.91 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.4 m -114.73 -0.83 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.496 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.4 mt 57.37 75.02 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.976 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 10.6 tt0 -132.23 149.58 52.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.122 -0.945 . . . . 15.0 110.376 -169.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.443 ' HG ' ' HE1' ' A' ' 457' ' ' TRP . 15.3 t -97.31 98.93 10.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.9 m -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 15.0 110.841 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HE1' ' HG ' ' A' ' 455' ' ' SER . 42.6 m95 -117.68 8.51 12.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.426 0.631 . . . . 15.0 111.235 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -119.77 128.38 53.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.323 -0.992 . . . . 15.0 108.323 168.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 43.0 mtpt -64.86 122.68 80.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 111.501 0.185 . . . . 15.0 111.501 -175.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 25.2 Cg_endo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.96 2.44 . . . . 15.0 111.974 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.0 m95 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.225 -0.657 . . . . 15.0 109.225 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 86.6 m -89.89 105.05 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.785 0.326 . . . . 15.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.94 91.92 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.2 ttm180 -105.33 132.18 51.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.727 -175.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -89.93 116.2 27.81 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.959 0.799 . . . . 15.0 110.322 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.74 140.44 29.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.922 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.89 -10.49 21.12 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.299 0.481 . . . . 15.0 112.299 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.62 -8.91 30.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.151 0.501 . . . . 15.0 110.798 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 28.0 19.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.065 -0.588 . . . . 15.0 111.984 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.428 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 10.0 pttm -141.5 130.08 22.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.94 0.4 . . . . 15.0 110.393 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.9 m -90.19 118.12 29.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.74 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 34.3 p90 -102.65 136.57 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.319 -0.552 . . . . 15.0 110.193 -178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.0 m-85 -99.39 91.55 4.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.306 0.574 . . . . 15.0 109.668 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.406 ' O ' ' HB ' ' A' ' 436' ' ' THR . 28.1 t80 -89.54 121.37 31.69 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.497 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.546 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.4 t-20 -94.35 131.02 40.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.709 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.8 -6.33 46.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.709 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.546 ' HB2' HD21 ' A' ' 449' ' ' ASN . 23.1 mmt180 -70.65 -68.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.231 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.4 t -100.68 0.35 38.91 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 86.7 mt 70.24 44.91 0.7 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.716 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.8 tt0 -93.02 138.37 31.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.08 -0.964 . . . . 15.0 110.573 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -92.79 101.84 14.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.385 -0.969 . . . . 15.0 108.385 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 8.2 m -100.8 124.38 46.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.206 -173.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.428 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 57.6 m95 -122.52 4.18 9.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.053 0.454 . . . . 15.0 111.84 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -115.26 120.79 40.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -75.4 118.79 73.4 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 121.045 -0.262 . . . . 15.0 111.065 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 123.05 2.5 . . . . 15.0 112.114 178.468 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 42.8 m95 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.603 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.8 m -89.65 104.39 16.95 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.93 -0.308 . . . . 15.0 110.87 -178.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.77 102.65 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -143.51 142.48 31.15 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.108 -0.701 . . . . 15.0 109.108 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -102.68 123.17 45.89 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.868 0.842 . . . . 15.0 111.015 -178.378 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 442' ' ' ASP . 7.2 t -89.7 150.4 22.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.156 -1.383 . . . . 15.0 109.785 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.0 -3.74 0.62 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.303 0.482 . . . . 15.0 112.303 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 440' ' ' THR . 22.9 t70 -67.62 -13.1 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.458 0.647 . . . . 15.0 109.997 171.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.32 10.89 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.595 -0.729 . . . . 15.0 112.313 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 15.0 111.441 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.5 m -89.94 100.27 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.054 -0.721 . . . . 15.0 109.054 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -103.29 142.54 34.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.612 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.603 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.5 m-85 -108.76 99.2 8.59 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.751 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -89.68 128.67 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.326 0.584 . . . . 15.0 110.591 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -102.08 126.51 49.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.175 -0.921 . . . . 15.0 110.261 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.65 -13.74 36.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 15.0 110.462 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.37 -41.97 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.046 -0.524 . . . . 15.0 110.753 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 -0.15 10.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.132 -176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.5 mt 62.16 25.9 15.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.918 0.866 . . . . 15.0 109.363 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -89.93 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.065 -1.425 . . . . 15.0 110.564 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.606 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.3 m -102.7 110.43 22.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.647 -0.421 . . . . 15.0 110.509 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.5 m -103.21 122.37 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.606 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 42.0 m95 -112.71 1.16 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 15.0 111.625 -174.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.76 132.22 56.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.353 172.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -72.58 119.82 77.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.919 -0.312 . . . . 15.0 111.693 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.8 2.333 . . . . 15.0 111.502 169.583 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 32.5 m95 . . . . . 0 N--CA 1.444 -0.763 0 N-CA-C 108.065 -1.087 . . . . 15.0 108.065 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.598 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.9 m -89.69 100.09 12.97 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.243 -0.651 . . . . 15.0 109.243 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -89.98 90.14 8.02 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -117.15 129.59 56.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.003 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -89.93 113.58 25.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 119.209 0.913 . . . . 15.0 108.987 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 m -89.74 141.0 29.03 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.131 -175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.87 3.36 3.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.51 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -84.24 6.59 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.886 0.851 . . . . 15.0 109.389 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.19 19.6 56.91 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.133 -0.94 . . . . 15.0 113.011 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -145.9 134.22 21.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.852 0.358 . . . . 15.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.4 m -92.06 120.19 32.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.187 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.4 p90 -108.17 149.89 27.95 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.639 -0.424 . . . . 15.0 110.664 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.598 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-85 -116.96 93.63 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.375 0.607 . . . . 15.0 109.641 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.65 120.2 30.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 15.0 111.032 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t30 -95.54 130.56 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.97 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -100.2 -3.75 30.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.177 0.513 . . . . 15.0 110.256 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.479 ' HB2' HD21 ' A' ' 449' ' ' ASN . 50.2 mmt-85 -71.41 -44.22 65.29 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.999 0.428 . . . . 15.0 110.97 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -119.74 0.23 10.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.368 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.0 mt 59.06 71.63 0.57 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.806 0.812 . . . . 15.0 109.258 -170.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -133.88 121.38 21.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.682 -1.144 . . . . 15.0 109.845 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.5 t -89.79 100.21 13.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.424 -0.584 . . . . 15.0 109.424 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.8 m -105.5 117.15 33.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.367 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.455 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 39.1 m95 -105.36 -1.4 25.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.337 0.589 . . . . 15.0 110.427 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.79 149.9 26.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.566 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -92.53 120.03 67.66 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 120.48 -0.488 . . . . 15.0 111.179 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.248 0.978 0 C-N-CA 122.786 2.324 . . . . 15.0 111.861 175.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.375 -0.231 . . . . 15.0 110.375 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.6 m -105.15 108.02 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.448 -0.101 . . . . 15.0 111.098 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG3' ' CD1' ' A' ' 447' ' ' TYR . 12.5 mp0 -89.63 93.55 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.114 -0.699 . . . . 15.0 109.114 173.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 79.8 ttt180 -99.37 128.39 45.48 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.381 -0.6 . . . . 15.0 109.381 -177.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -89.65 107.08 18.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 119.485 1.038 . . . . 15.0 109.203 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.473 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 1.4 m -89.75 144.22 26.15 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.472 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.55 -0.74 4.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.37 0.508 . . . . 15.0 112.37 -173.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.58 -4.33 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.479 0.657 . . . . 15.0 109.732 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 20.15 44.05 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.629 -0.714 . . . . 15.0 111.708 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -127.92 128.99 46.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 15.0 110.877 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.2 m -93.13 98.82 11.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.981 -0.748 . . . . 15.0 108.981 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 9.1 p90 -98.8 146.28 26.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.242 0.544 . . . . 15.0 110.602 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 7.9 m-85 -104.97 102.78 12.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.553 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -89.2 121.63 31.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.17 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 451' ' ' ARG . 30.4 t30 -104.92 128.11 53.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.142 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.75 -9.22 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.967 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 449' ' ' ASN . 26.3 mmm180 -66.07 -46.75 76.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.889 0.376 . . . . 15.0 111.162 -178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.4 p -119.81 -0.01 10.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.965 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 452' ' ' THR . 96.8 mt 69.75 31.43 3.54 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.868 0.73 . . . . 15.0 109.728 -174.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.86 136.74 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.12 -0.945 . . . . 15.0 110.66 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 t -99.29 103.81 15.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 m -102.0 125.74 48.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.1 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -115.53 -2.94 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.116 0.413 . . . . 15.0 112.116 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -120.21 137.9 53.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.865 -0.791 . . . . 15.0 108.865 168.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 10.1 mtpm? -70.0 126.03 92.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 15.0 112.186 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--O 1.246 0.89 0 C-N-CA 123.447 2.765 . . . . 15.0 112.217 177.899 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 41.7 m95 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.7 m -90.03 102.06 14.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.272 -0.27 . . . . 15.0 110.272 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.91 102.61 15.32 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -136.13 150.04 48.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.02 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -100.73 121.57 41.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.222 0.534 . . . . 15.0 110.288 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.88 150.24 22.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.698 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -12.0 6.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.084 -0.507 . . . . 15.0 112.237 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.63 -7.52 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.234 0.54 . . . . 15.0 110.4 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 35.62 7.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.113 -0.565 . . . . 15.0 112.328 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 130.5 36.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.747 0.308 . . . . 15.0 110.848 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.7 m -89.98 93.78 9.54 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.622 -0.881 . . . . 15.0 108.622 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -100.97 144.19 30.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.69 -173.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 26.0 m-85 -103.9 99.44 9.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.966 -177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -89.62 121.25 31.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.32 0.581 . . . . 15.0 110.148 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 38.1 t30 -90.01 130.36 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.786 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.06 -5.57 40.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.897 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -72.98 -64.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.891 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 27.5 p -106.37 -0.21 24.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.975 0.417 . . . . 15.0 110.742 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.6 74.88 0.41 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.226 -0.897 . . . . 15.0 109.986 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.98 137.71 51.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.242 -0.89 . . . . 15.0 109.061 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.837 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 43.6 m -96.99 102.11 13.82 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.585 -0.446 . . . . 15.0 110.235 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 m -98.73 112.72 24.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.961 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.837 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 43.1 m95 -107.73 -3.69 18.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 15.0 111.416 -174.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.03 131.11 55.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.373 -0.973 . . . . 15.0 108.373 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.621 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 3.6 mtpm? -63.33 126.58 89.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 113.789 1.033 . . . . 15.0 113.789 -170.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.253 1.274 0 C-N-CA 122.546 2.164 . . . . 15.0 111.12 164.799 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 11.2 m95 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.627 -0.138 . . . . 15.0 110.627 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.4 m -89.98 90.46 8.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.9 95.4 10.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.03 -0.73 . . . . 15.0 109.03 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -126.58 149.95 49.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.367 -0.833 . . . . 15.0 110.247 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 47.6 mtpt -95.08 125.03 39.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.093 0.473 . . . . 15.0 110.498 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -89.54 150.07 22.6 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.09 -10.92 4.89 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 -171.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 15.5 t70 -73.22 -8.86 57.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.479 0.657 . . . . 15.0 110.001 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 28.14 18.98 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.697 -0.683 . . . . 15.0 112.147 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 58.5 mttm -122.2 133.24 54.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.778 0.323 . . . . 15.0 110.399 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 m -90.01 101.06 13.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.479 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.5 p90 -100.21 139.09 36.37 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.892 -0.323 . . . . 15.0 110.57 -174.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.5 98.45 8.22 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.323 -0.621 . . . . 15.0 109.323 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.35 132.75 34.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.544 0.687 . . . . 15.0 110.499 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.547 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 8.1 t-20 -89.67 125.79 35.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.405 -175.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -94.49 -4.7 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.282 0.563 . . . . 15.0 110.054 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -72.53 -58.59 3.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.072 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 5.5 m -119.81 0.1 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.027 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 452' ' ' THR . 8.8 mp 69.55 75.11 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.98 0.895 . . . . 15.0 109.414 -172.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.6 tt0 -131.4 150.04 52.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.515 -1.22 . . . . 15.0 109.028 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.476 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 69.4 p -103.19 111.21 23.48 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.382 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.1 m -111.7 126.53 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.96 -0.385 . . . . 15.0 109.96 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.1 m95 -120.96 6.25 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.495 -0.482 . . . . 15.0 112.237 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -120.07 130.73 54.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.95 -0.759 . . . . 15.0 108.95 170.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -75.84 116.67 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.057 0.392 . . . . 15.0 112.057 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 C--O 1.248 0.997 0 C-N-CA 122.591 2.194 . . . . 15.0 111.426 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 38.9 m95 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.495 -0.187 . . . . 15.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 97.1 m -89.47 99.54 12.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.939 -0.393 . . . . 15.0 109.939 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.99 93.27 9.34 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -115.37 137.9 51.56 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.227 -0.897 . . . . 15.0 109.351 -174.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.35 116.09 28.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.568 0.622 . . . . 15.0 110.878 -175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.582 ' HG1' ' HD1' ' A' ' 446' ' ' TYR . 0.2 OUTLIER -89.69 139.39 30.61 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.586 172.477 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.04 -10.62 10.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.55 -5.28 41.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.076 0.465 . . . . 15.0 110.816 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.9 37.39 6.84 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.231 -0.748 . . . . 15.0 111.231 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.88 124.48 19.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.27 -0.465 . . . . 15.0 110.239 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 m -90.6 99.91 12.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 171.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HD1' ' HG1' ' A' ' 440' ' ' THR . 28.0 p90 -93.72 145.31 24.67 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.282 -0.567 . . . . 15.0 110.689 -173.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.2 m-85 -106.49 101.52 10.98 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.497 -0.774 . . . . 15.0 109.857 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -89.04 122.65 32.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 15.0 110.597 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 47.9 t-20 -89.89 116.31 27.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.898 -1.046 . . . . 15.0 108.833 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -91.15 -3.36 57.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.482 . . . . 15.0 110.323 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -82.99 -40.84 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.159 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.7 m -120.1 0.04 10.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.884 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.58 27.35 14.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.45 0.643 . . . . 15.0 110.126 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 26.1 tt0 -90.08 150.33 22.11 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.501 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 m -112.25 108.37 17.56 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.017 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 137.46 38.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.812 . . . . 15.0 108.806 -177.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -125.5 9.56 7.81 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.431 -0.508 . . . . 15.0 112.179 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.33 136.76 54.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.176 -0.676 . . . . 15.0 109.176 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -83.86 117.37 68.5 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 120.905 -0.318 . . . . 15.0 110.929 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.776 2.318 . . . . 15.0 111.84 172.617 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 49.5 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.2 m -97.69 110.55 23.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.462 0.172 . . . . 15.0 111.049 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.53 93.07 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.908 -1.145 . . . . 15.0 107.908 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -116.7 146.07 43.02 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.825 -0.35 . . . . 15.0 110.787 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.39 122.3 44.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.142 0.496 . . . . 15.0 110.444 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.6 t -89.75 149.99 22.49 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.973 174.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.57 -2.38 4.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 15.0 112.081 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.89 -3.16 50.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.508 0.67 . . . . 15.0 109.707 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.96 37.24 8.54 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.733 -0.667 . . . . 15.0 112.417 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 440' ' ' THR . 57.8 mttp -141.44 135.89 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.824 0.345 . . . . 15.0 110.836 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -90.07 129.71 36.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.416 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.2 p90 -131.03 148.18 52.72 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.041 0.448 . . . . 15.0 110.465 -176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.6 m-85 -104.26 100.57 10.29 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.627 0.727 . . . . 15.0 109.933 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -89.26 131.95 35.13 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.518 0.675 . . . . 15.0 110.366 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 41.4 t-20 -90.03 114.39 26.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.794 -1.094 . . . . 15.0 109.37 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 67.4 t30 -95.76 -2.4 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 15.0 110.061 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -76.07 -51.21 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.696 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.2 t -120.09 0.03 10.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.295 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 44.4 mt 68.64 75.31 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.562 0.696 . . . . 15.0 109.903 -174.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.613 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 38.5 tt0 -135.82 149.49 49.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 15.0 109.553 -172.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.7 t -102.06 111.58 23.9 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.452 -0.573 . . . . 15.0 109.452 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.0 m -119.88 119.1 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.332 0.587 . . . . 15.0 110.98 -174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.416 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 33.4 m95 -115.72 6.62 14.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.375 0.607 . . . . 15.0 110.912 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.55 131.34 56.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 15.0 108.651 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -76.83 121.06 84.14 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.376 -0.53 . . . . 15.0 110.713 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.826 2.351 . . . . 15.0 111.592 176.816 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.78 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 19.6 m95 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.836 -0.431 . . . . 15.0 109.836 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 73.6 m -93.47 103.5 15.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.204 -0.31 . . . . 15.0 110.611 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.04 99.96 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.512 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.7 ttm180 -109.5 139.45 44.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.385 -0.37 . . . . 15.0 110.278 -176.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.12 101.17 13.88 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.467 0.576 . . . . 15.0 110.171 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 139.71 30.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.112 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.57 -2.99 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 15.0 111.579 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.38 -1.71 11.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.475 0.655 . . . . 15.0 110.296 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.81 24.51 29.97 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.542 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -141.82 127.49 19.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.696 0.284 . . . . 15.0 110.709 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.8 m -95.86 99.07 10.91 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.46 -0.941 . . . . 15.0 108.46 170.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.512 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 36.4 p90 -90.15 150.14 22.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 120.783 -0.367 . . . . 15.0 110.939 -172.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.8 m-85 -115.99 95.73 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.198 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.91 129.83 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.811 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.78 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 7.2 t-20 -90.1 132.66 35.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.675 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -107.11 3.85 26.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.745 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.724 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.3 mmp_? -86.71 -49.02 7.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 p -119.64 0.12 10.9 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.846 0.355 . . . . 15.0 110.697 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 68.89 75.19 0.25 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.347 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -133.86 139.25 46.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.796 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.798 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 45.3 p -95.47 103.06 14.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 174.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 m -100.63 115.38 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 15.0 110.171 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.798 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 49.1 m95 -111.74 7.1 20.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.339 0.59 . . . . 15.0 111.042 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -119.86 134.09 55.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.401 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 38.7 mtpt -78.75 121.22 83.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 111.694 0.257 . . . . 15.0 111.694 -175.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.528 2.152 . . . . 15.0 111.742 170.56 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 121.068 0.461 . . . . 15.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -111.97 -50.63 2.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.369 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.537 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 58.7 m95 -119.21 138.69 52.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 15.0 109.875 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.5 m -89.86 100.7 13.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.156 0.503 . . . . 15.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.08 98.17 11.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 37.7 ttm180 -123.12 149.23 44.78 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -94.85 119.73 33.91 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.186 0.517 . . . . 15.0 111.013 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 446' ' ' TYR . 9.9 t -89.83 150.2 22.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.563 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 -12.13 5.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.84 0.682 . . . . 15.0 112.84 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.86 -8.73 46.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.324 0.583 . . . . 15.0 110.257 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.81 34.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.584 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -122.04 138.56 54.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.808 0.337 . . . . 15.0 110.621 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.9 m -89.91 98.21 11.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 19.6 p90 -92.26 139.54 30.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.749 -0.38 . . . . 15.0 110.31 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.7 m-85 -101.52 91.78 4.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.403 ' O ' ' HB ' ' A' ' 436' ' ' THR . 66.9 t80 -89.49 133.51 34.53 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.18 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.537 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 11.8 t30 -113.19 113.57 25.54 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.045 -0.98 . . . . 15.0 110.495 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -104.82 2.63 30.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.463 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.67 -46.62 45.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.248 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -119.25 0.19 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.028 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.9 mt 70.68 75.12 0.2 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.244 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -150.03 141.56 23.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.859 -176.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -101.91 115.58 30.84 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.257 -0.277 . . . . 15.0 110.375 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.7 m -112.68 125.71 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.287 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.3 m95 -116.4 -1.05 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 15.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.23 121.74 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.315 -0.624 . . . . 15.0 109.315 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -67.24 118.28 54.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 111.504 0.187 . . . . 15.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.127 2.551 . . . . 15.0 112.374 176.032 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 121.03 0.443 . . . . 15.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -96.69 -23.12 16.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.705 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 8.3 m95 -106.17 119.8 40.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.679 -0.237 . . . . 15.0 110.611 -175.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -92.67 109.71 21.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.331 -0.231 . . . . 15.0 110.956 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.76 92.31 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.273 -1.01 . . . . 15.0 108.273 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -123.94 145.34 49.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.492 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -120.43 118.48 30.41 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.024 0.44 . . . . 15.0 110.696 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.6 t -89.79 150.26 22.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.07 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.95 -6.09 3.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.163 0.431 . . . . 15.0 112.163 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.09 -9.16 54.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.42 0.628 . . . . 15.0 110.077 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 27.52 21.95 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.663 -0.699 . . . . 15.0 111.548 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -124.67 117.89 25.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 15.0 110.863 -176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.3 m -89.9 101.11 13.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.762 -0.829 . . . . 15.0 108.762 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -105.84 145.3 31.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.61 -0.436 . . . . 15.0 110.566 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.682 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.5 m-85 -111.39 97.93 7.11 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.554 -0.748 . . . . 15.0 109.481 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -89.45 133.57 34.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.473 0.654 . . . . 15.0 110.653 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.488 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 48.7 t-20 -89.63 115.42 27.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.81 -1.087 . . . . 15.0 109.262 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.66 -5.45 51.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 15.0 110.055 -173.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.728 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 1.7 mmp_? -105.12 -21.25 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.465 0.543 . . . . 15.0 112.465 -177.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -120.12 -0.31 10.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.611 0.243 . . . . 15.0 110.942 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.1 mt 60.09 31.69 20.68 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.711 0.767 . . . . 15.0 109.775 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 41.4 tt0 -101.75 149.66 23.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.687 -1.142 . . . . 15.0 109.851 -173.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 p -110.65 108.08 17.87 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.925 0.393 . . . . 15.0 110.418 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 19.0 m -113.29 121.6 44.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -113.56 5.75 16.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.312 0.577 . . . . 15.0 111.354 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.428 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 62.8 mm-40 -116.61 127.03 54.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.27 -0.877 . . . . 15.0 108.653 170.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.2 mtpp -73.95 117.24 59.69 Favored Pre-proline 0 N--CA 1.467 0.414 0 N-CA-C 111.877 0.325 . . . . 15.0 111.877 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 33.0 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 122.41 2.073 . . . . 15.0 111.568 169.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 121.274 0.559 . . . . 15.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.13 110.67 23.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.979 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -136.28 141.94 43.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.457 -0.338 . . . . 15.0 110.654 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 65.0 m -89.71 91.49 8.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.95 100.32 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.686 -0.857 . . . . 15.0 108.686 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -130.66 149.17 52.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -103.95 121.06 42.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.479 0.656 . . . . 15.0 111.139 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -89.59 150.2 22.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.209 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.07 -3.5 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.367 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.71 -2.21 31.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.335 0.588 . . . . 15.0 110.04 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.42 17.53 Favored Glycine 0 CA--C 1.509 -0.298 0 CA-C-N 115.784 -0.644 . . . . 15.0 112.273 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -138.41 132.18 31.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.941 0.4 . . . . 15.0 110.615 -175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 m -89.74 99.68 12.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -90.08 140.2 29.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.608 -0.437 . . . . 15.0 110.009 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.78 103.43 11.96 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.836 -0.802 . . . . 15.0 108.836 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -89.2 127.41 35.75 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.31 0.576 . . . . 15.0 110.662 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 36.1 t-20 -90.02 111.83 23.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.111 -0.949 . . . . 15.0 109.139 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.05 0.44 55.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.554 0.692 . . . . 15.0 109.646 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -79.98 -56.95 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.357 -0.838 . . . . 15.0 109.79 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 35.4 p -110.01 0.31 18.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.935 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 452' ' ' THR . 9.5 mp 70.45 34.42 2.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.641 0.734 . . . . 15.0 110.061 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.8 tt0 -90.06 145.22 25.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.905 -1.043 . . . . 15.0 109.956 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.549 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 78.5 p -94.91 108.37 20.41 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.927 -0.768 . . . . 15.0 108.927 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 24.2 m -99.87 119.55 38.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.397 -173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 69.0 m95 -120.94 7.62 10.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.219 0.533 . . . . 15.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -119.87 120.18 35.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.153 -1.054 . . . . 15.0 108.153 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 28.6 mtpp -65.02 117.12 36.13 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 111.977 0.362 . . . . 15.0 111.977 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.92 2.414 . . . . 15.0 112.134 175.668 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.103 0.478 . . . . 15.0 110.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 1.4 pm0 -80.15 -6.4 57.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.39 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 48.9 m95 -91.17 113.75 26.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.5 m -90.11 110.98 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 15.0 111.518 -177.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -92.1 90.36 7.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.014 -0.735 . . . . 15.0 109.014 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.566 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 42.0 ttm180 -105.37 126.38 52.04 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.08 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 18.4 pttm -92.38 112.15 23.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.96 0.8 . . . . 15.0 110.345 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.9 t -89.86 149.96 22.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.114 0.483 . . . . 15.0 110.194 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.91 -8.02 9.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.319 -0.855 . . . . 15.0 112.929 -171.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.52 -7.3 37.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.565 0.698 . . . . 15.0 110.048 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.37 15.24 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.647 -0.706 . . . . 15.0 112.439 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 440' ' ' THR . 13.4 pttm -150.03 146.17 26.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 15.0 110.961 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.6 t -97.57 144.99 26.69 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.687 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.587 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 38.2 p90 -125.91 134.12 51.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.498 ' HA ' ' O ' ' A' ' 436' ' ' THR . 12.9 m-85 -93.24 89.9 6.6 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.381 0.61 . . . . 15.0 109.801 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -89.79 123.64 33.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.987 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 12.5 t-20 -106.28 142.33 36.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 15.0 111.214 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -106.33 8.52 31.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.272 0.558 . . . . 15.0 110.289 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.507 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 35.0 mmt180 -79.38 -63.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.171 0.51 . . . . 15.0 110.491 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.1 p -107.12 -0.01 23.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.341 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 63.2 65.62 0.77 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.322 -0.854 . . . . 15.0 109.461 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -123.13 140.78 52.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.963 -1.017 . . . . 15.0 110.123 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.5 t -106.39 100.77 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.233 -0.654 . . . . 15.0 109.233 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.68 144.26 30.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.354 -175.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 73.7 m95 -125.14 1.3 7.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.345 0.869 . . . . 15.0 113.345 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.08 136.92 54.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -82.15 121.71 78.99 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.585 0.231 . . . . 15.0 111.346 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.759 2.306 . . . . 15.0 111.792 175.837 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.249 -0.649 . . . . 15.0 109.249 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -93.18 -33.17 14.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.873 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 15.0 m95 -106.7 116.49 32.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.984 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.9 m -90.1 105.76 18.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.747 0.308 . . . . 15.0 110.448 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.72 99.92 12.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.41 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.7 ttm180 -124.31 139.75 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.501 -0.318 . . . . 15.0 110.258 -173.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -103.82 115.05 29.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.622 0.647 . . . . 15.0 110.542 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.4 t -89.83 150.0 22.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.212 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.97 1.61 2.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.467 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.23 -11.26 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.384 0.612 . . . . 15.0 109.694 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 27.82 19.99 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.155 -0.778 . . . . 15.0 111.155 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -138.29 134.9 34.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 15.0 110.97 -174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.6 m -97.73 103.99 15.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 171.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.411 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 35.0 p90 -100.23 143.76 30.06 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.906 0.384 . . . . 15.0 110.307 -174.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 6.3 m-85 -107.67 94.27 4.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.449 0.643 . . . . 15.0 109.539 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -89.37 127.48 35.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.411 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.459 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 18.6 t30 -90.04 120.45 31.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.62 -0.718 . . . . 15.0 109.592 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.05 -3.13 58.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.905 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -82.41 -40.86 20.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.251 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 m -120.07 -0.08 10.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.603 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 62.8 29.36 16.68 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.826 0.822 . . . . 15.0 109.082 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -89.93 134.84 33.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.279 -1.328 . . . . 15.0 109.931 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 t -98.41 108.32 20.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.715 -0.394 . . . . 15.0 109.974 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 17.8 m -107.13 120.72 42.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.817 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.411 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 44.1 m95 -115.78 3.92 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.304 0.573 . . . . 15.0 111.368 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -120.15 123.46 43.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.542 -0.911 . . . . 15.0 108.542 170.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.471 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 22.4 mtpt -62.09 124.51 82.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.973 -0.291 . . . . 15.0 110.591 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.245 0.875 0 C-N-CA 122.518 2.145 . . . . 15.0 111.535 177.476 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.462 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 3.5 mp0 -94.82 -37.7 11.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.631 0.65 . . . . 15.0 110.048 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.45 ' HZ3' ' ND2' ' A' ' 449' ' ' ASN . 30.0 m95 -117.18 135.1 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.682 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.8 m -97.49 101.07 12.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 172.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.425 ' HG3' ' HD1' ' A' ' 447' ' ' TYR . 27.8 mp0 -89.69 95.95 10.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.642 -0.873 . . . . 15.0 108.642 176.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.65 146.26 50.92 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.902 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -99.61 124.39 44.78 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.12 0.486 . . . . 15.0 110.043 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.5 t -89.59 150.27 22.47 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.593 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -14.93 17.24 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.917 0.71 . . . . 15.0 112.917 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.25 -7.29 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.211 0.529 . . . . 15.0 110.659 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 34.59 7.98 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.973 -0.632 . . . . 15.0 112.336 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -124.49 130.33 52.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.7 0.286 . . . . 15.0 110.411 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.5 m -89.99 97.46 11.2 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 15.0 108.843 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -103.04 146.76 27.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.094 0.474 . . . . 15.0 110.604 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.4 m-85 -112.03 101.0 9.32 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.436 -0.802 . . . . 15.0 109.522 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.14 130.18 35.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 15.0 110.487 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 49.4 t-20 -89.94 115.6 27.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.179 -0.919 . . . . 15.0 109.844 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -99.86 1.61 43.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.146 0.498 . . . . 15.0 110.398 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.462 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 39.6 mmt180 -91.08 -43.76 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.267 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 m -117.38 0.01 12.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 15.0 111.017 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 86.6 mt 60.5 75.0 0.43 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.52 0.676 . . . . 15.0 110.034 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -142.39 144.4 33.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.22 -172.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t -95.94 99.5 11.28 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.701 -0.851 . . . . 15.0 108.701 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 m -107.33 102.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.28 0.562 . . . . 15.0 111.183 -171.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -104.42 7.63 35.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.683 0.754 . . . . 15.0 110.207 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.24 131.27 54.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.833 -1.076 . . . . 15.0 109.213 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 7.4 mtpm? -74.55 126.73 88.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 15.0 111.722 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.752 2.302 . . . . 15.0 111.947 176.055 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 121.222 0.535 . . . . 15.0 110.694 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.68 -13.26 56.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.799 0.809 . . . . 15.0 109.355 176.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 51.8 m95 -114.14 150.22 34.47 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.352 -1.294 . . . . 15.0 109.265 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 88.2 m -89.11 90.87 8.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.528 -0.915 . . . . 15.0 108.528 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -89.94 89.92 7.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 15.0 109.135 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.77 145.95 50.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 15.0 109.55 -173.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -117.22 124.96 50.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.787 -0.57 . . . . 15.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 150.1 22.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.847 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -2.1 2.51 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.32 -5.43 39.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.242 0.544 . . . . 15.0 109.661 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 33.57 8.87 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 115.586 -0.734 . . . . 15.0 112.508 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.69 128.37 20.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.763 0.316 . . . . 15.0 110.905 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.6 m -89.78 116.85 28.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.85 149.5 38.52 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.318 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.2 m-85 -119.16 100.98 7.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.316 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.476 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 89.2 t80 -89.31 128.58 35.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.304 0.573 . . . . 15.0 111.125 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.689 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 43.7 t-20 -89.72 111.36 22.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.249 -0.887 . . . . 15.0 109.042 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.5 -2.0 54.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.325 0.583 . . . . 15.0 110.24 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -84.06 -39.88 19.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.4 m -120.03 0.13 10.69 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.465 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.1 mt 67.65 32.72 5.35 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.477 0.656 . . . . 15.0 110.221 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 35.6 tt0 -89.82 148.21 23.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.272 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 t -111.97 102.6 10.83 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -94.67 117.15 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.058 -174.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -116.42 2.14 13.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 15.0 111.244 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -120.14 117.39 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -59.94 122.81 68.56 Favored Pre-proline 0 N--CA 1.465 0.28 0 O-C-N 123.189 0.305 . . . . 15.0 111.809 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 121.949 1.766 . . . . 15.0 111.434 168.223 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 1.5 pm0 -73.71 -13.86 61.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.432 0.634 . . . . 15.0 109.609 172.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -92.08 137.75 32.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 448' ' ' TYR . 89.9 m -90.01 99.83 12.76 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.506 -0.478 . . . . 15.0 109.813 174.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.69 95.67 10.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.419 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 76.3 ttt180 -122.73 115.27 21.77 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.047 -171.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.98 111.9 23.13 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.334 0.97 . . . . 15.0 110.542 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.5 t -89.96 150.0 22.34 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.57 -2.15 6.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.357 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.28 -13.25 57.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.35 0.595 . . . . 15.0 109.718 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 29.25 16.06 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.992 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -141.36 141.47 33.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 15.0 110.815 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 53.9 m -102.82 107.62 18.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.193 -0.669 . . . . 15.0 109.193 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.419 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 14.8 p90 -99.71 145.33 27.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.685 -0.406 . . . . 15.0 110.307 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.18 103.93 12.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.817 -0.629 . . . . 15.0 109.675 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.549 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 81.1 t80 -89.41 132.8 34.82 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.357 0.598 . . . . 15.0 110.884 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.839 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 46.9 t-20 -89.77 118.83 29.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.169 -0.923 . . . . 15.0 109.191 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -98.39 -5.35 32.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.669 0.271 . . . . 15.0 111.04 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -84.49 -41.91 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.4 m -114.73 -0.83 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.496 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.4 mt 57.37 75.02 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.976 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 10.6 tt0 -132.23 149.58 52.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.122 -0.945 . . . . 15.0 110.376 -169.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.443 ' HG ' ' HE1' ' A' ' 457' ' ' TRP . 15.3 t -97.31 98.93 10.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.9 m -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 15.0 110.841 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HE1' ' HG ' ' A' ' 455' ' ' SER . 42.6 m95 -117.68 8.51 12.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.426 0.631 . . . . 15.0 111.235 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -119.77 128.38 53.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.323 -0.992 . . . . 15.0 108.323 168.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 43.0 mtpt -64.86 122.68 80.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 111.501 0.185 . . . . 15.0 111.501 -175.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 25.2 Cg_endo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.96 2.44 . . . . 15.0 111.974 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 120.93 0.395 . . . . 15.0 110.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.02 -40.71 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.707 -0.849 . . . . 15.0 108.707 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -130.57 123.26 29.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.101 -0.954 . . . . 15.0 109.225 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 86.6 m -89.89 105.05 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.785 0.326 . . . . 15.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.94 91.92 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.2 ttm180 -105.33 132.18 51.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.727 -175.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -89.93 116.2 27.81 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.959 0.799 . . . . 15.0 110.322 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.74 140.44 29.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.922 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.89 -10.49 21.12 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.299 0.481 . . . . 15.0 112.299 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.62 -8.91 30.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.151 0.501 . . . . 15.0 110.798 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 28.0 19.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.065 -0.588 . . . . 15.0 111.984 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.428 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 10.0 pttm -141.5 130.08 22.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.94 0.4 . . . . 15.0 110.393 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.9 m -90.19 118.12 29.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.74 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 34.3 p90 -102.65 136.57 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.319 -0.552 . . . . 15.0 110.193 -178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.0 m-85 -99.39 91.55 4.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.306 0.574 . . . . 15.0 109.668 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.406 ' O ' ' HB ' ' A' ' 436' ' ' THR . 28.1 t80 -89.54 121.37 31.69 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.497 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.546 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.4 t-20 -94.35 131.02 40.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.709 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.8 -6.33 46.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.709 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.546 ' HB2' HD21 ' A' ' 449' ' ' ASN . 23.1 mmt180 -70.65 -68.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.231 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.4 t -100.68 0.35 38.91 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 86.7 mt 70.24 44.91 0.7 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.716 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.8 tt0 -93.02 138.37 31.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.08 -0.964 . . . . 15.0 110.573 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -92.79 101.84 14.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.385 -0.969 . . . . 15.0 108.385 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 8.2 m -100.8 124.38 46.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.206 -173.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.428 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 57.6 m95 -122.52 4.18 9.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.053 0.454 . . . . 15.0 111.84 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -115.26 120.79 40.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -75.4 118.79 73.4 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 121.045 -0.262 . . . . 15.0 111.065 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 123.05 2.5 . . . . 15.0 112.114 178.468 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.126 -0.324 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . 3.8 tp10 -69.37 -50.8 42.82 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.398 -0.593 . . . . 15.0 109.398 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.83 129.32 55.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.603 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.8 m -89.65 104.39 16.95 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.93 -0.308 . . . . 15.0 110.87 -178.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.77 102.65 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -143.51 142.48 31.15 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.108 -0.701 . . . . 15.0 109.108 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -102.68 123.17 45.89 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.868 0.842 . . . . 15.0 111.015 -178.378 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 442' ' ' ASP . 7.2 t -89.7 150.4 22.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.156 -1.383 . . . . 15.0 109.785 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.0 -3.74 0.62 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.303 0.482 . . . . 15.0 112.303 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 440' ' ' THR . 22.9 t70 -67.62 -13.1 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.458 0.647 . . . . 15.0 109.997 171.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.32 10.89 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.595 -0.729 . . . . 15.0 112.313 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 15.0 111.441 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.5 m -89.94 100.27 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.054 -0.721 . . . . 15.0 109.054 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -103.29 142.54 34.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.612 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.603 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.5 m-85 -108.76 99.2 8.59 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.751 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -89.68 128.67 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.326 0.584 . . . . 15.0 110.591 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -102.08 126.51 49.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.175 -0.921 . . . . 15.0 110.261 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.65 -13.74 36.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 15.0 110.462 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.37 -41.97 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.046 -0.524 . . . . 15.0 110.753 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 -0.15 10.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.132 -176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.5 mt 62.16 25.9 15.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.918 0.866 . . . . 15.0 109.363 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -89.93 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.065 -1.425 . . . . 15.0 110.564 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.606 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.3 m -102.7 110.43 22.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.647 -0.421 . . . . 15.0 110.509 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.5 m -103.21 122.37 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.606 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 42.0 m95 -112.71 1.16 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 15.0 111.625 -174.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.76 132.22 56.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.353 172.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -72.58 119.82 77.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.919 -0.312 . . . . 15.0 111.693 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.8 2.333 . . . . 15.0 111.502 169.583 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.377 0.132 . . . . 15.0 110.809 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -39.77 81.68 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.867 0.841 . . . . 15.0 108.926 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 32.5 m95 -93.54 144.88 24.95 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.298 -1.319 . . . . 15.0 108.065 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.598 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.9 m -89.69 100.09 12.97 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.243 -0.651 . . . . 15.0 109.243 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -89.98 90.14 8.02 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -117.15 129.59 56.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.003 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -89.93 113.58 25.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 119.209 0.913 . . . . 15.0 108.987 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 m -89.74 141.0 29.03 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.131 -175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.87 3.36 3.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.51 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -84.24 6.59 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.886 0.851 . . . . 15.0 109.389 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.19 19.6 56.91 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.133 -0.94 . . . . 15.0 113.011 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -145.9 134.22 21.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.852 0.358 . . . . 15.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.4 m -92.06 120.19 32.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.187 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.4 p90 -108.17 149.89 27.95 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.639 -0.424 . . . . 15.0 110.664 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.598 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-85 -116.96 93.63 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.375 0.607 . . . . 15.0 109.641 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.65 120.2 30.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 15.0 111.032 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t30 -95.54 130.56 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.97 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -100.2 -3.75 30.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.177 0.513 . . . . 15.0 110.256 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.479 ' HB2' HD21 ' A' ' 449' ' ' ASN . 50.2 mmt-85 -71.41 -44.22 65.29 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.999 0.428 . . . . 15.0 110.97 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -119.74 0.23 10.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.368 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.0 mt 59.06 71.63 0.57 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.806 0.812 . . . . 15.0 109.258 -170.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -133.88 121.38 21.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.682 -1.144 . . . . 15.0 109.845 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.5 t -89.79 100.21 13.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.424 -0.584 . . . . 15.0 109.424 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.8 m -105.5 117.15 33.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.367 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.455 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 39.1 m95 -105.36 -1.4 25.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.337 0.589 . . . . 15.0 110.427 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.79 149.9 26.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.566 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -92.53 120.03 67.66 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 120.48 -0.488 . . . . 15.0 111.179 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.248 0.978 0 C-N-CA 122.786 2.324 . . . . 15.0 111.861 175.902 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.14 0.495 . . . . 15.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.6 OUTLIER -91.85 -12.96 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.286 -176.279 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -91.05 132.97 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.375 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.6 m -105.15 108.02 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.448 -0.101 . . . . 15.0 111.098 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG3' ' CD1' ' A' ' 447' ' ' TYR . 12.5 mp0 -89.63 93.55 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.114 -0.699 . . . . 15.0 109.114 173.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 79.8 ttt180 -99.37 128.39 45.48 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.381 -0.6 . . . . 15.0 109.381 -177.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -89.65 107.08 18.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 119.485 1.038 . . . . 15.0 109.203 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.473 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 1.4 m -89.75 144.22 26.15 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.472 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.55 -0.74 4.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.37 0.508 . . . . 15.0 112.37 -173.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.58 -4.33 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.479 0.657 . . . . 15.0 109.732 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 20.15 44.05 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.629 -0.714 . . . . 15.0 111.708 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -127.92 128.99 46.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 15.0 110.877 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.2 m -93.13 98.82 11.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.981 -0.748 . . . . 15.0 108.981 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 9.1 p90 -98.8 146.28 26.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.242 0.544 . . . . 15.0 110.602 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 7.9 m-85 -104.97 102.78 12.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.553 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -89.2 121.63 31.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.17 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 451' ' ' ARG . 30.4 t30 -104.92 128.11 53.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.142 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.75 -9.22 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.967 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 449' ' ' ASN . 26.3 mmm180 -66.07 -46.75 76.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.889 0.376 . . . . 15.0 111.162 -178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.4 p -119.81 -0.01 10.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.965 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 452' ' ' THR . 96.8 mt 69.75 31.43 3.54 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.868 0.73 . . . . 15.0 109.728 -174.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.86 136.74 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.12 -0.945 . . . . 15.0 110.66 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 t -99.29 103.81 15.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 m -102.0 125.74 48.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.1 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -115.53 -2.94 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.116 0.413 . . . . 15.0 112.116 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -120.21 137.9 53.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.865 -0.791 . . . . 15.0 108.865 168.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 10.1 mtpm? -70.0 126.03 92.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 15.0 112.186 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--O 1.246 0.89 0 C-N-CA 123.447 2.765 . . . . 15.0 112.217 177.899 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.981 0.419 . . . . 15.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.452 -0.944 . . . . 15.0 108.452 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 41.7 m95 -117.45 145.79 43.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.552 -1.203 . . . . 15.0 108.462 173.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.7 m -90.03 102.06 14.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.272 -0.27 . . . . 15.0 110.272 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.91 102.61 15.32 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -136.13 150.04 48.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.02 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -100.73 121.57 41.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.222 0.534 . . . . 15.0 110.288 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.88 150.24 22.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.698 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -12.0 6.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.084 -0.507 . . . . 15.0 112.237 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.63 -7.52 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.234 0.54 . . . . 15.0 110.4 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 35.62 7.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.113 -0.565 . . . . 15.0 112.328 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 130.5 36.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.747 0.308 . . . . 15.0 110.848 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.7 m -89.98 93.78 9.54 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.622 -0.881 . . . . 15.0 108.622 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -100.97 144.19 30.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.69 -173.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 26.0 m-85 -103.9 99.44 9.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.966 -177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -89.62 121.25 31.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.32 0.581 . . . . 15.0 110.148 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 38.1 t30 -90.01 130.36 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.786 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.06 -5.57 40.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.897 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -72.98 -64.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.891 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 27.5 p -106.37 -0.21 24.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.975 0.417 . . . . 15.0 110.742 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.6 74.88 0.41 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.226 -0.897 . . . . 15.0 109.986 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.98 137.71 51.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.242 -0.89 . . . . 15.0 109.061 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.837 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 43.6 m -96.99 102.11 13.82 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.585 -0.446 . . . . 15.0 110.235 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 m -98.73 112.72 24.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.961 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.837 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 43.1 m95 -107.73 -3.69 18.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 15.0 111.416 -174.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.03 131.11 55.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.373 -0.973 . . . . 15.0 108.373 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.621 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 3.6 mtpm? -63.33 126.58 89.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 113.789 1.033 . . . . 15.0 113.789 -170.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.253 1.274 0 C-N-CA 122.546 2.164 . . . . 15.0 111.12 164.799 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.625 0.25 . . . . 15.0 111.444 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.529 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 9.7 pt-20 -82.1 -16.73 48.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.4 . . . . 15.0 110.766 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 11.2 m95 -100.49 120.94 40.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 15.0 110.627 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.4 m -89.98 90.46 8.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.9 95.4 10.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.03 -0.73 . . . . 15.0 109.03 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -126.58 149.95 49.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.367 -0.833 . . . . 15.0 110.247 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 47.6 mtpt -95.08 125.03 39.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.093 0.473 . . . . 15.0 110.498 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -89.54 150.07 22.6 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.09 -10.92 4.89 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 -171.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 15.5 t70 -73.22 -8.86 57.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.479 0.657 . . . . 15.0 110.001 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 28.14 18.98 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.697 -0.683 . . . . 15.0 112.147 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 58.5 mttm -122.2 133.24 54.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.778 0.323 . . . . 15.0 110.399 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 m -90.01 101.06 13.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.479 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.5 p90 -100.21 139.09 36.37 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.892 -0.323 . . . . 15.0 110.57 -174.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.5 98.45 8.22 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.323 -0.621 . . . . 15.0 109.323 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.35 132.75 34.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.544 0.687 . . . . 15.0 110.499 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.547 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 8.1 t-20 -89.67 125.79 35.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.405 -175.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -94.49 -4.7 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.282 0.563 . . . . 15.0 110.054 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.529 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 17.1 mtm180 -72.53 -58.59 3.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.072 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 5.5 m -119.81 0.1 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.027 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 452' ' ' THR . 8.8 mp 69.55 75.11 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.98 0.895 . . . . 15.0 109.414 -172.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.6 tt0 -131.4 150.04 52.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.515 -1.22 . . . . 15.0 109.028 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.476 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 69.4 p -103.19 111.21 23.48 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.382 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.1 m -111.7 126.53 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.96 -0.385 . . . . 15.0 109.96 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.1 m95 -120.96 6.25 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.495 -0.482 . . . . 15.0 112.237 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -120.07 130.73 54.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.95 -0.759 . . . . 15.0 108.95 170.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -75.84 116.67 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.057 0.392 . . . . 15.0 112.057 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 C--O 1.248 0.997 0 C-N-CA 122.591 2.194 . . . . 15.0 111.426 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.318 -0.252 . . . . 15.0 110.318 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.26 -21.13 18.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.276 0.56 . . . . 15.0 110.293 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -96.18 137.39 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.495 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 97.1 m -89.47 99.54 12.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.939 -0.393 . . . . 15.0 109.939 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.99 93.27 9.34 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -115.37 137.9 51.56 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.227 -0.897 . . . . 15.0 109.351 -174.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.35 116.09 28.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.568 0.622 . . . . 15.0 110.878 -175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.582 ' HG1' ' HD1' ' A' ' 446' ' ' TYR . 0.2 OUTLIER -89.69 139.39 30.61 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.586 172.477 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.04 -10.62 10.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.55 -5.28 41.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.076 0.465 . . . . 15.0 110.816 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.9 37.39 6.84 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.231 -0.748 . . . . 15.0 111.231 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.88 124.48 19.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.27 -0.465 . . . . 15.0 110.239 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 m -90.6 99.91 12.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 171.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HD1' ' HG1' ' A' ' 440' ' ' THR . 28.0 p90 -93.72 145.31 24.67 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.282 -0.567 . . . . 15.0 110.689 -173.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.2 m-85 -106.49 101.52 10.98 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.497 -0.774 . . . . 15.0 109.857 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -89.04 122.65 32.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 15.0 110.597 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 47.9 t-20 -89.89 116.31 27.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.898 -1.046 . . . . 15.0 108.833 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -91.15 -3.36 57.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.482 . . . . 15.0 110.323 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -82.99 -40.84 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.159 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.7 m -120.1 0.04 10.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.884 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.58 27.35 14.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.45 0.643 . . . . 15.0 110.126 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 26.1 tt0 -90.08 150.33 22.11 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.501 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 m -112.25 108.37 17.56 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.017 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 137.46 38.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.812 . . . . 15.0 108.806 -177.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -125.5 9.56 7.81 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.431 -0.508 . . . . 15.0 112.179 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.33 136.76 54.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.176 -0.676 . . . . 15.0 109.176 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -83.86 117.37 68.5 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 120.905 -0.318 . . . . 15.0 110.929 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.776 2.318 . . . . 15.0 111.84 172.617 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.476 0.849 0 CA-C-O 121.145 0.498 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HB3' ' HD3' ' A' ' 451' ' ' ARG . 2.4 mp0 -96.87 -13.06 22.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.803 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -118.51 128.02 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.945 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.2 m -97.69 110.55 23.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.462 0.172 . . . . 15.0 111.049 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.53 93.07 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.908 -1.145 . . . . 15.0 107.908 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -116.7 146.07 43.02 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.825 -0.35 . . . . 15.0 110.787 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.39 122.3 44.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.142 0.496 . . . . 15.0 110.444 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.6 t -89.75 149.99 22.49 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.973 174.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.57 -2.38 4.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 15.0 112.081 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.89 -3.16 50.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.508 0.67 . . . . 15.0 109.707 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.96 37.24 8.54 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.733 -0.667 . . . . 15.0 112.417 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 440' ' ' THR . 57.8 mttp -141.44 135.89 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.824 0.345 . . . . 15.0 110.836 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -90.07 129.71 36.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.416 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.2 p90 -131.03 148.18 52.72 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.041 0.448 . . . . 15.0 110.465 -176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.6 m-85 -104.26 100.57 10.29 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.627 0.727 . . . . 15.0 109.933 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -89.26 131.95 35.13 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.518 0.675 . . . . 15.0 110.366 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 41.4 t-20 -90.03 114.39 26.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.794 -1.094 . . . . 15.0 109.37 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 67.4 t30 -95.76 -2.4 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 15.0 110.061 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.476 ' HD3' ' HB3' ' A' ' 434' ' ' GLU . 59.6 mtm180 -76.07 -51.21 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.696 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.2 t -120.09 0.03 10.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.295 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 44.4 mt 68.64 75.31 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.562 0.696 . . . . 15.0 109.903 -174.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.613 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 38.5 tt0 -135.82 149.49 49.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 15.0 109.553 -172.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.7 t -102.06 111.58 23.9 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.452 -0.573 . . . . 15.0 109.452 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.0 m -119.88 119.1 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.332 0.587 . . . . 15.0 110.98 -174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.416 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 33.4 m95 -115.72 6.62 14.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.375 0.607 . . . . 15.0 110.912 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.55 131.34 56.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 15.0 108.651 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -76.83 121.06 84.14 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.376 -0.53 . . . . 15.0 110.713 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.826 2.351 . . . . 15.0 111.592 176.816 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.129 0.49 . . . . 15.0 110.691 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -87.18 -4.91 59.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.076 -176.039 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.78 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 19.6 m95 -104.29 121.81 44.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.836 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 73.6 m -93.47 103.5 15.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.204 -0.31 . . . . 15.0 110.611 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.04 99.96 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.512 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.7 ttm180 -109.5 139.45 44.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.385 -0.37 . . . . 15.0 110.278 -176.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.12 101.17 13.88 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.467 0.576 . . . . 15.0 110.171 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 139.71 30.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.112 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.57 -2.99 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 15.0 111.579 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.38 -1.71 11.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.475 0.655 . . . . 15.0 110.296 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.81 24.51 29.97 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.542 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -141.82 127.49 19.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.696 0.284 . . . . 15.0 110.709 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.8 m -95.86 99.07 10.91 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.46 -0.941 . . . . 15.0 108.46 170.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.512 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 36.4 p90 -90.15 150.14 22.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 120.783 -0.367 . . . . 15.0 110.939 -172.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.8 m-85 -115.99 95.73 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.198 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.91 129.83 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.811 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.78 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 7.2 t-20 -90.1 132.66 35.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.675 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -107.11 3.85 26.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.745 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.724 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.3 mmp_? -86.71 -49.02 7.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 p -119.64 0.12 10.9 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.846 0.355 . . . . 15.0 110.697 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 68.89 75.19 0.25 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.347 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -133.86 139.25 46.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.796 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.798 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 45.3 p -95.47 103.06 14.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 174.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 m -100.63 115.38 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 15.0 110.171 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.798 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 49.1 m95 -111.74 7.1 20.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.339 0.59 . . . . 15.0 111.042 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -119.86 134.09 55.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.401 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 38.7 mtpt -78.75 121.22 83.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 111.694 0.257 . . . . 15.0 111.694 -175.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.528 2.152 . . . . 15.0 111.742 170.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.537 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 58.7 m95 . . . . . 0 C--O 1.234 0.277 0 N-CA-C 109.875 -0.417 . . . . 15.0 109.875 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.5 m -89.86 100.7 13.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.156 0.503 . . . . 15.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.08 98.17 11.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 37.7 ttm180 -123.12 149.23 44.78 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -94.85 119.73 33.91 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.186 0.517 . . . . 15.0 111.013 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 446' ' ' TYR . 9.9 t -89.83 150.2 22.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.563 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 -12.13 5.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.84 0.682 . . . . 15.0 112.84 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.86 -8.73 46.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.324 0.583 . . . . 15.0 110.257 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.81 34.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.584 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -122.04 138.56 54.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.808 0.337 . . . . 15.0 110.621 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.9 m -89.91 98.21 11.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 19.6 p90 -92.26 139.54 30.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.749 -0.38 . . . . 15.0 110.31 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.7 m-85 -101.52 91.78 4.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.403 ' O ' ' HB ' ' A' ' 436' ' ' THR . 66.9 t80 -89.49 133.51 34.53 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.18 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.537 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 11.8 t30 -113.19 113.57 25.54 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.045 -0.98 . . . . 15.0 110.495 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -104.82 2.63 30.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.463 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.67 -46.62 45.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.248 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -119.25 0.19 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.028 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.9 mt 70.68 75.12 0.2 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.244 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -150.03 141.56 23.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.859 -176.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -101.91 115.58 30.84 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.257 -0.277 . . . . 15.0 110.375 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.7 m -112.68 125.71 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.287 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.3 m95 -116.4 -1.05 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 15.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.23 121.74 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.315 -0.624 . . . . 15.0 109.315 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -67.24 118.28 54.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 111.504 0.187 . . . . 15.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.127 2.551 . . . . 15.0 112.374 176.032 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 8.3 m95 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.611 -0.144 . . . . 15.0 110.611 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -92.67 109.71 21.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.331 -0.231 . . . . 15.0 110.956 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.76 92.31 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.273 -1.01 . . . . 15.0 108.273 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -123.94 145.34 49.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.492 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -120.43 118.48 30.41 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.024 0.44 . . . . 15.0 110.696 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.6 t -89.79 150.26 22.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.07 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.95 -6.09 3.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.163 0.431 . . . . 15.0 112.163 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.09 -9.16 54.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.42 0.628 . . . . 15.0 110.077 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 27.52 21.95 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.663 -0.699 . . . . 15.0 111.548 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -124.67 117.89 25.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 15.0 110.863 -176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.3 m -89.9 101.11 13.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.762 -0.829 . . . . 15.0 108.762 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -105.84 145.3 31.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.61 -0.436 . . . . 15.0 110.566 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.682 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.5 m-85 -111.39 97.93 7.11 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.554 -0.748 . . . . 15.0 109.481 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -89.45 133.57 34.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.473 0.654 . . . . 15.0 110.653 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.488 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 48.7 t-20 -89.63 115.42 27.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.81 -1.087 . . . . 15.0 109.262 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.66 -5.45 51.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 15.0 110.055 -173.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.728 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 1.7 mmp_? -105.12 -21.25 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.465 0.543 . . . . 15.0 112.465 -177.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -120.12 -0.31 10.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.611 0.243 . . . . 15.0 110.942 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.1 mt 60.09 31.69 20.68 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.711 0.767 . . . . 15.0 109.775 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 41.4 tt0 -101.75 149.66 23.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.687 -1.142 . . . . 15.0 109.851 -173.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 p -110.65 108.08 17.87 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.925 0.393 . . . . 15.0 110.418 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 19.0 m -113.29 121.6 44.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -113.56 5.75 16.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.312 0.577 . . . . 15.0 111.354 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.428 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 62.8 mm-40 -116.61 127.03 54.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.27 -0.877 . . . . 15.0 108.653 170.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.2 mtpp -73.95 117.24 59.69 Favored Pre-proline 0 N--CA 1.467 0.414 0 N-CA-C 111.877 0.325 . . . . 15.0 111.877 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 33.0 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 122.41 2.073 . . . . 15.0 111.568 169.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.8 m95 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.461 0.172 . . . . 15.0 110.654 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 65.0 m -89.71 91.49 8.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.95 100.32 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.686 -0.857 . . . . 15.0 108.686 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -130.66 149.17 52.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -103.95 121.06 42.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.479 0.656 . . . . 15.0 111.139 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -89.59 150.2 22.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.209 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.07 -3.5 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.367 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.71 -2.21 31.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.335 0.588 . . . . 15.0 110.04 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.42 17.53 Favored Glycine 0 CA--C 1.509 -0.298 0 CA-C-N 115.784 -0.644 . . . . 15.0 112.273 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -138.41 132.18 31.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.941 0.4 . . . . 15.0 110.615 -175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 m -89.74 99.68 12.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -90.08 140.2 29.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.608 -0.437 . . . . 15.0 110.009 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.78 103.43 11.96 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.836 -0.802 . . . . 15.0 108.836 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -89.2 127.41 35.75 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.31 0.576 . . . . 15.0 110.662 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 36.1 t-20 -90.02 111.83 23.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.111 -0.949 . . . . 15.0 109.139 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.05 0.44 55.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.554 0.692 . . . . 15.0 109.646 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -79.98 -56.95 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.357 -0.838 . . . . 15.0 109.79 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 35.4 p -110.01 0.31 18.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.935 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 452' ' ' THR . 9.5 mp 70.45 34.42 2.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.641 0.734 . . . . 15.0 110.061 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.8 tt0 -90.06 145.22 25.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.905 -1.043 . . . . 15.0 109.956 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.549 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 78.5 p -94.91 108.37 20.41 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.927 -0.768 . . . . 15.0 108.927 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 24.2 m -99.87 119.55 38.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.397 -173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 69.0 m95 -120.94 7.62 10.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.219 0.533 . . . . 15.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -119.87 120.18 35.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.153 -1.054 . . . . 15.0 108.153 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 28.6 mtpp -65.02 117.12 36.13 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 111.977 0.362 . . . . 15.0 111.977 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.92 2.414 . . . . 15.0 112.134 175.668 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 48.9 m95 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.5 m -90.11 110.98 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 15.0 111.518 -177.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -92.1 90.36 7.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.014 -0.735 . . . . 15.0 109.014 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.566 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 42.0 ttm180 -105.37 126.38 52.04 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.08 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 18.4 pttm -92.38 112.15 23.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.96 0.8 . . . . 15.0 110.345 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.9 t -89.86 149.96 22.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.114 0.483 . . . . 15.0 110.194 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.91 -8.02 9.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.319 -0.855 . . . . 15.0 112.929 -171.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.52 -7.3 37.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.565 0.698 . . . . 15.0 110.048 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.37 15.24 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.647 -0.706 . . . . 15.0 112.439 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 440' ' ' THR . 13.4 pttm -150.03 146.17 26.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 15.0 110.961 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.6 t -97.57 144.99 26.69 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.687 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.587 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 38.2 p90 -125.91 134.12 51.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.498 ' HA ' ' O ' ' A' ' 436' ' ' THR . 12.9 m-85 -93.24 89.9 6.6 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.381 0.61 . . . . 15.0 109.801 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -89.79 123.64 33.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.987 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 12.5 t-20 -106.28 142.33 36.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 15.0 111.214 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -106.33 8.52 31.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.272 0.558 . . . . 15.0 110.289 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.422 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 35.0 mmt180 -79.38 -63.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.171 0.51 . . . . 15.0 110.491 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.1 p -107.12 -0.01 23.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.341 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 63.2 65.62 0.77 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.322 -0.854 . . . . 15.0 109.461 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -123.13 140.78 52.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.963 -1.017 . . . . 15.0 110.123 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.5 t -106.39 100.77 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.233 -0.654 . . . . 15.0 109.233 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.68 144.26 30.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.354 -175.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 73.7 m95 -125.14 1.3 7.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.345 0.869 . . . . 15.0 113.345 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.08 136.92 54.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -82.15 121.71 78.99 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.585 0.231 . . . . 15.0 111.346 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.759 2.306 . . . . 15.0 111.792 175.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 15.0 m95 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.259 0.076 . . . . 15.0 110.984 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.9 m -90.1 105.76 18.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.747 0.308 . . . . 15.0 110.448 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.72 99.92 12.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.41 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.7 ttm180 -124.31 139.75 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.501 -0.318 . . . . 15.0 110.258 -173.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -103.82 115.05 29.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.622 0.647 . . . . 15.0 110.542 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.4 t -89.83 150.0 22.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.212 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.97 1.61 2.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.467 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.23 -11.26 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.384 0.612 . . . . 15.0 109.694 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 27.82 19.99 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.155 -0.778 . . . . 15.0 111.155 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -138.29 134.9 34.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 15.0 110.97 -174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.6 m -97.73 103.99 15.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 171.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.411 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 35.0 p90 -100.23 143.76 30.06 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.906 0.384 . . . . 15.0 110.307 -174.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 6.3 m-85 -107.67 94.27 4.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.449 0.643 . . . . 15.0 109.539 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -89.37 127.48 35.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.411 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.459 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 18.6 t30 -90.04 120.45 31.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.62 -0.718 . . . . 15.0 109.592 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.05 -3.13 58.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.905 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -82.41 -40.86 20.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.251 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 m -120.07 -0.08 10.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.603 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 62.8 29.36 16.68 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.826 0.822 . . . . 15.0 109.082 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -89.93 134.84 33.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.279 -1.328 . . . . 15.0 109.931 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 t -98.41 108.32 20.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.715 -0.394 . . . . 15.0 109.974 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 17.8 m -107.13 120.72 42.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.817 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.411 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 44.1 m95 -115.78 3.92 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.304 0.573 . . . . 15.0 111.368 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -120.15 123.46 43.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.542 -0.911 . . . . 15.0 108.542 170.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.471 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 22.4 mtpt -62.09 124.51 82.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.973 -0.291 . . . . 15.0 110.591 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.245 0.875 0 C-N-CA 122.518 2.145 . . . . 15.0 111.535 177.476 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.45 ' HZ3' ' ND2' ' A' ' 449' ' ' ASN . 30.0 m95 . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.682 -0.488 . . . . 15.0 109.682 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.8 m -97.49 101.07 12.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 172.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.425 ' HG3' ' HD1' ' A' ' 447' ' ' TYR . 27.8 mp0 -89.69 95.95 10.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.642 -0.873 . . . . 15.0 108.642 176.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.65 146.26 50.92 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.902 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -99.61 124.39 44.78 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.12 0.486 . . . . 15.0 110.043 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.5 t -89.59 150.27 22.47 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.593 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -14.93 17.24 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.917 0.71 . . . . 15.0 112.917 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.25 -7.29 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.211 0.529 . . . . 15.0 110.659 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 34.59 7.98 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.973 -0.632 . . . . 15.0 112.336 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -124.49 130.33 52.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.7 0.286 . . . . 15.0 110.411 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.5 m -89.99 97.46 11.2 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 15.0 108.843 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -103.04 146.76 27.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.094 0.474 . . . . 15.0 110.604 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.4 m-85 -112.03 101.0 9.32 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.436 -0.802 . . . . 15.0 109.522 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.14 130.18 35.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 15.0 110.487 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 49.4 t-20 -89.94 115.6 27.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.179 -0.919 . . . . 15.0 109.844 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -99.86 1.61 43.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.146 0.498 . . . . 15.0 110.398 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -91.08 -43.76 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.267 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 m -117.38 0.01 12.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 15.0 111.017 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 86.6 mt 60.5 75.0 0.43 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.52 0.676 . . . . 15.0 110.034 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -142.39 144.4 33.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.22 -172.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t -95.94 99.5 11.28 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.701 -0.851 . . . . 15.0 108.701 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 m -107.33 102.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.28 0.562 . . . . 15.0 111.183 -171.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -104.42 7.63 35.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.683 0.754 . . . . 15.0 110.207 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.24 131.27 54.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.833 -1.076 . . . . 15.0 109.213 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 7.4 mtpm? -74.55 126.73 88.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 15.0 111.722 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.752 2.302 . . . . 15.0 111.947 176.055 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 51.8 m95 . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 109.265 -0.642 . . . . 15.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 88.2 m -89.11 90.87 8.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.528 -0.915 . . . . 15.0 108.528 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -89.94 89.92 7.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 15.0 109.135 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.77 145.95 50.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 15.0 109.55 -173.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -117.22 124.96 50.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.787 -0.57 . . . . 15.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 150.1 22.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.847 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -2.1 2.51 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.32 -5.43 39.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.242 0.544 . . . . 15.0 109.661 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 33.57 8.87 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 115.586 -0.734 . . . . 15.0 112.508 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.69 128.37 20.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.763 0.316 . . . . 15.0 110.905 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.6 m -89.78 116.85 28.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.85 149.5 38.52 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.318 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.2 m-85 -119.16 100.98 7.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.316 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.476 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 89.2 t80 -89.31 128.58 35.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.304 0.573 . . . . 15.0 111.125 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.689 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 43.7 t-20 -89.72 111.36 22.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.249 -0.887 . . . . 15.0 109.042 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.5 -2.0 54.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.325 0.583 . . . . 15.0 110.24 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -84.06 -39.88 19.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.4 m -120.03 0.13 10.69 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.465 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.1 mt 67.65 32.72 5.35 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.477 0.656 . . . . 15.0 110.221 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 35.6 tt0 -89.82 148.21 23.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.272 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 t -111.97 102.6 10.83 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -94.67 117.15 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.058 -174.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -116.42 2.14 13.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 15.0 111.244 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -120.14 117.39 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -59.94 122.81 68.56 Favored Pre-proline 0 N--CA 1.465 0.28 0 O-C-N 123.189 0.305 . . . . 15.0 111.809 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 121.949 1.766 . . . . 15.0 111.434 168.223 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 57.4 m95 . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 448' ' ' TYR . 89.9 m -90.01 99.83 12.76 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.506 -0.478 . . . . 15.0 109.813 174.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.69 95.67 10.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.419 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 76.3 ttt180 -122.73 115.27 21.77 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.047 -171.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.98 111.9 23.13 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.334 0.97 . . . . 15.0 110.542 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.5 t -89.96 150.0 22.34 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.57 -2.15 6.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.357 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.28 -13.25 57.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.35 0.595 . . . . 15.0 109.718 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 29.25 16.06 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.992 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -141.36 141.47 33.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 15.0 110.815 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 53.9 m -102.82 107.62 18.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.193 -0.669 . . . . 15.0 109.193 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.419 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 14.8 p90 -99.71 145.33 27.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.685 -0.406 . . . . 15.0 110.307 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.18 103.93 12.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.817 -0.629 . . . . 15.0 109.675 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.549 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 81.1 t80 -89.41 132.8 34.82 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.357 0.598 . . . . 15.0 110.884 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.839 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 46.9 t-20 -89.77 118.83 29.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.169 -0.923 . . . . 15.0 109.191 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -98.39 -5.35 32.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.669 0.271 . . . . 15.0 111.04 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -84.49 -41.91 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.4 m -114.73 -0.83 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.496 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.4 mt 57.37 75.02 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.976 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 10.6 tt0 -132.23 149.58 52.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.122 -0.945 . . . . 15.0 110.376 -169.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.443 ' HG ' ' HE1' ' A' ' 457' ' ' TRP . 15.3 t -97.31 98.93 10.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.9 m -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 15.0 110.841 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HE1' ' HG ' ' A' ' 455' ' ' SER . 42.6 m95 -117.68 8.51 12.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.426 0.631 . . . . 15.0 111.235 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -119.77 128.38 53.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.323 -0.992 . . . . 15.0 108.323 168.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 43.0 mtpt -64.86 122.68 80.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 111.501 0.185 . . . . 15.0 111.501 -175.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 25.2 Cg_endo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.96 2.44 . . . . 15.0 111.974 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.0 m95 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.225 -0.657 . . . . 15.0 109.225 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 86.6 m -89.89 105.05 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.785 0.326 . . . . 15.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.94 91.92 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.2 ttm180 -105.33 132.18 51.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.727 -175.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -89.93 116.2 27.81 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.959 0.799 . . . . 15.0 110.322 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.74 140.44 29.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.922 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.89 -10.49 21.12 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.299 0.481 . . . . 15.0 112.299 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.62 -8.91 30.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.151 0.501 . . . . 15.0 110.798 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 28.0 19.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.065 -0.588 . . . . 15.0 111.984 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.428 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 10.0 pttm -141.5 130.08 22.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.94 0.4 . . . . 15.0 110.393 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.9 m -90.19 118.12 29.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.74 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 34.3 p90 -102.65 136.57 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.319 -0.552 . . . . 15.0 110.193 -178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.0 m-85 -99.39 91.55 4.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.306 0.574 . . . . 15.0 109.668 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.406 ' O ' ' HB ' ' A' ' 436' ' ' THR . 28.1 t80 -89.54 121.37 31.69 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.497 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.546 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.4 t-20 -94.35 131.02 40.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.709 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.8 -6.33 46.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.709 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.546 ' HB2' HD21 ' A' ' 449' ' ' ASN . 23.1 mmt180 -70.65 -68.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.231 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.4 t -100.68 0.35 38.91 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 86.7 mt 70.24 44.91 0.7 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.716 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.8 tt0 -93.02 138.37 31.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.08 -0.964 . . . . 15.0 110.573 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -92.79 101.84 14.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.385 -0.969 . . . . 15.0 108.385 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 8.2 m -100.8 124.38 46.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.206 -173.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.428 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 57.6 m95 -122.52 4.18 9.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.053 0.454 . . . . 15.0 111.84 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -115.26 120.79 40.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -75.4 118.79 73.4 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 121.045 -0.262 . . . . 15.0 111.065 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 123.05 2.5 . . . . 15.0 112.114 178.468 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 42.8 m95 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.603 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.8 m -89.65 104.39 16.95 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.93 -0.308 . . . . 15.0 110.87 -178.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.77 102.65 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -143.51 142.48 31.15 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.108 -0.701 . . . . 15.0 109.108 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -102.68 123.17 45.89 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.868 0.842 . . . . 15.0 111.015 -178.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 442' ' ' ASP . 7.2 t -89.7 150.4 22.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.156 -1.383 . . . . 15.0 109.785 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.0 -3.74 0.62 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.303 0.482 . . . . 15.0 112.303 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 440' ' ' THR . 22.9 t70 -67.62 -13.1 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.458 0.647 . . . . 15.0 109.997 171.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.32 10.89 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.595 -0.729 . . . . 15.0 112.313 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 15.0 111.441 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.5 m -89.94 100.27 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.054 -0.721 . . . . 15.0 109.054 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -103.29 142.54 34.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.612 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.603 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.5 m-85 -108.76 99.2 8.59 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.751 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -89.68 128.67 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.326 0.584 . . . . 15.0 110.591 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -102.08 126.51 49.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.175 -0.921 . . . . 15.0 110.261 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.65 -13.74 36.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 15.0 110.462 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.37 -41.97 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.046 -0.524 . . . . 15.0 110.753 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 -0.15 10.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.132 -176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.5 mt 62.16 25.9 15.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.918 0.866 . . . . 15.0 109.363 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -89.93 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.065 -1.425 . . . . 15.0 110.564 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.606 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.3 m -102.7 110.43 22.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.647 -0.421 . . . . 15.0 110.509 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.5 m -103.21 122.37 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.606 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 42.0 m95 -112.71 1.16 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 15.0 111.625 -174.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.76 132.22 56.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.353 172.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -72.58 119.82 77.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.919 -0.312 . . . . 15.0 111.693 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.8 2.333 . . . . 15.0 111.502 169.583 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 32.5 m95 . . . . . 0 N--CA 1.444 -0.763 0 N-CA-C 108.065 -1.087 . . . . 15.0 108.065 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.598 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.9 m -89.69 100.09 12.97 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.243 -0.651 . . . . 15.0 109.243 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -89.98 90.14 8.02 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -117.15 129.59 56.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.003 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -89.93 113.58 25.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 119.209 0.913 . . . . 15.0 108.987 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 m -89.74 141.0 29.03 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.131 -175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.87 3.36 3.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.51 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -84.24 6.59 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.886 0.851 . . . . 15.0 109.389 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.19 19.6 56.91 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.133 -0.94 . . . . 15.0 113.011 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -145.9 134.22 21.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.852 0.358 . . . . 15.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.4 m -92.06 120.19 32.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.187 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.4 p90 -108.17 149.89 27.95 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.639 -0.424 . . . . 15.0 110.664 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.598 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-85 -116.96 93.63 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.375 0.607 . . . . 15.0 109.641 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.65 120.2 30.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 15.0 111.032 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t30 -95.54 130.56 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.97 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -100.2 -3.75 30.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.177 0.513 . . . . 15.0 110.256 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.479 ' HB2' HD21 ' A' ' 449' ' ' ASN . 50.2 mmt-85 -71.41 -44.22 65.29 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.999 0.428 . . . . 15.0 110.97 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -119.74 0.23 10.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.368 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.0 mt 59.06 71.63 0.57 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.806 0.812 . . . . 15.0 109.258 -170.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -133.88 121.38 21.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.682 -1.144 . . . . 15.0 109.845 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.5 t -89.79 100.21 13.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.424 -0.584 . . . . 15.0 109.424 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.8 m -105.5 117.15 33.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.367 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.455 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 39.1 m95 -105.36 -1.4 25.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.337 0.589 . . . . 15.0 110.427 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.79 149.9 26.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.566 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -92.53 120.03 67.66 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 120.48 -0.488 . . . . 15.0 111.179 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.248 0.978 0 C-N-CA 122.786 2.324 . . . . 15.0 111.861 175.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.375 -0.231 . . . . 15.0 110.375 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.6 m -105.15 108.02 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.448 -0.101 . . . . 15.0 111.098 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG3' ' CD1' ' A' ' 447' ' ' TYR . 12.5 mp0 -89.63 93.55 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.114 -0.699 . . . . 15.0 109.114 173.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 79.8 ttt180 -99.37 128.39 45.48 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.381 -0.6 . . . . 15.0 109.381 -177.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -89.65 107.08 18.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 119.485 1.038 . . . . 15.0 109.203 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.473 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 1.4 m -89.75 144.22 26.15 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.472 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.55 -0.74 4.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.37 0.508 . . . . 15.0 112.37 -173.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.58 -4.33 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.479 0.657 . . . . 15.0 109.732 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 20.15 44.05 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.629 -0.714 . . . . 15.0 111.708 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -127.92 128.99 46.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 15.0 110.877 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.2 m -93.13 98.82 11.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.981 -0.748 . . . . 15.0 108.981 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 9.1 p90 -98.8 146.28 26.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.242 0.544 . . . . 15.0 110.602 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 7.9 m-85 -104.97 102.78 12.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.553 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -89.2 121.63 31.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.17 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 451' ' ' ARG . 30.4 t30 -104.92 128.11 53.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.142 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.75 -9.22 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.967 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 449' ' ' ASN . 26.3 mmm180 -66.07 -46.75 76.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.889 0.376 . . . . 15.0 111.162 -178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.4 p -119.81 -0.01 10.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.965 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 452' ' ' THR . 96.8 mt 69.75 31.43 3.54 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.868 0.73 . . . . 15.0 109.728 -174.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.86 136.74 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.12 -0.945 . . . . 15.0 110.66 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 t -99.29 103.81 15.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 m -102.0 125.74 48.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.1 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -115.53 -2.94 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.116 0.413 . . . . 15.0 112.116 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -120.21 137.9 53.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.865 -0.791 . . . . 15.0 108.865 168.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 10.1 mtpm? -70.0 126.03 92.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 15.0 112.186 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--O 1.246 0.89 0 C-N-CA 123.447 2.765 . . . . 15.0 112.217 177.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 41.7 m95 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.462 -0.94 . . . . 15.0 108.462 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.7 m -90.03 102.06 14.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.272 -0.27 . . . . 15.0 110.272 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.91 102.61 15.32 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -136.13 150.04 48.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.02 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -100.73 121.57 41.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.222 0.534 . . . . 15.0 110.288 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.88 150.24 22.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.698 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -12.0 6.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.084 -0.507 . . . . 15.0 112.237 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.63 -7.52 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.234 0.54 . . . . 15.0 110.4 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 35.62 7.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.113 -0.565 . . . . 15.0 112.328 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 130.5 36.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.747 0.308 . . . . 15.0 110.848 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.7 m -89.98 93.78 9.54 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.622 -0.881 . . . . 15.0 108.622 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -100.97 144.19 30.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.69 -173.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 26.0 m-85 -103.9 99.44 9.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.966 -177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -89.62 121.25 31.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.32 0.581 . . . . 15.0 110.148 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 38.1 t30 -90.01 130.36 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.786 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.56 ' H ' HD22 ' A' ' 450' ' ' ASN . 0.1 OUTLIER -96.06 -5.57 40.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -72.98 -64.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.891 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 27.5 p -106.37 -0.21 24.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.975 0.417 . . . . 15.0 110.742 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.6 74.88 0.41 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.226 -0.897 . . . . 15.0 109.986 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.98 137.71 51.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.242 -0.89 . . . . 15.0 109.061 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.837 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 43.6 m -96.99 102.11 13.82 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.585 -0.446 . . . . 15.0 110.235 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 m -98.73 112.72 24.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.961 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.837 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 43.1 m95 -107.73 -3.69 18.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 15.0 111.416 -174.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.03 131.11 55.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.373 -0.973 . . . . 15.0 108.373 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.621 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 3.6 mtpm? -63.33 126.58 89.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 113.789 1.033 . . . . 15.0 113.789 -170.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.253 1.274 0 C-N-CA 122.546 2.164 . . . . 15.0 111.12 164.799 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 11.2 m95 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.627 -0.138 . . . . 15.0 110.627 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.4 m -89.98 90.46 8.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.9 95.4 10.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.03 -0.73 . . . . 15.0 109.03 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -126.58 149.95 49.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.367 -0.833 . . . . 15.0 110.247 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 47.6 mtpt -95.08 125.03 39.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.093 0.473 . . . . 15.0 110.498 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -89.54 150.07 22.6 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.09 -10.92 4.89 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 -171.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 15.5 t70 -73.22 -8.86 57.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.479 0.657 . . . . 15.0 110.001 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 28.14 18.98 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.697 -0.683 . . . . 15.0 112.147 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 58.5 mttm -122.2 133.24 54.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.778 0.323 . . . . 15.0 110.399 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 m -90.01 101.06 13.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.479 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.5 p90 -100.21 139.09 36.37 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.892 -0.323 . . . . 15.0 110.57 -174.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.5 98.45 8.22 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.323 -0.621 . . . . 15.0 109.323 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.35 132.75 34.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.544 0.687 . . . . 15.0 110.499 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.547 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 8.1 t-20 -89.67 125.79 35.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.405 -175.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.49 -4.7 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.282 0.563 . . . . 15.0 110.054 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -72.53 -58.59 3.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.072 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 5.5 m -119.81 0.1 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.027 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 452' ' ' THR . 8.8 mp 69.55 75.11 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.98 0.895 . . . . 15.0 109.414 -172.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.6 tt0 -131.4 150.04 52.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.515 -1.22 . . . . 15.0 109.028 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.476 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 69.4 p -103.19 111.21 23.48 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.382 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.1 m -111.7 126.53 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.96 -0.385 . . . . 15.0 109.96 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.1 m95 -120.96 6.25 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.495 -0.482 . . . . 15.0 112.237 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -120.07 130.73 54.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.95 -0.759 . . . . 15.0 108.95 170.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -75.84 116.67 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.057 0.392 . . . . 15.0 112.057 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 C--O 1.248 0.997 0 C-N-CA 122.591 2.194 . . . . 15.0 111.426 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 38.9 m95 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.495 -0.187 . . . . 15.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 97.1 m -89.47 99.54 12.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.939 -0.393 . . . . 15.0 109.939 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.99 93.27 9.34 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -115.37 137.9 51.56 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.227 -0.897 . . . . 15.0 109.351 -174.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.35 116.09 28.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.568 0.622 . . . . 15.0 110.878 -175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.582 ' HG1' ' HD1' ' A' ' 446' ' ' TYR . 0.2 OUTLIER -89.69 139.39 30.61 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.586 172.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.04 -10.62 10.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.55 -5.28 41.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.076 0.465 . . . . 15.0 110.816 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.9 37.39 6.84 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.231 -0.748 . . . . 15.0 111.231 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.88 124.48 19.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.27 -0.465 . . . . 15.0 110.239 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 m -90.6 99.91 12.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 171.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HD1' ' HG1' ' A' ' 440' ' ' THR . 28.0 p90 -93.72 145.31 24.67 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.282 -0.567 . . . . 15.0 110.689 -173.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.2 m-85 -106.49 101.52 10.98 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.497 -0.774 . . . . 15.0 109.857 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -89.04 122.65 32.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 15.0 110.597 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 47.9 t-20 -89.89 116.31 27.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.898 -1.046 . . . . 15.0 108.833 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -91.15 -3.36 57.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.482 . . . . 15.0 110.323 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -82.99 -40.84 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.159 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.7 m -120.1 0.04 10.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.884 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.58 27.35 14.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.45 0.643 . . . . 15.0 110.126 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 26.1 tt0 -90.08 150.33 22.11 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.501 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 m -112.25 108.37 17.56 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.017 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 137.46 38.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.812 . . . . 15.0 108.806 -177.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -125.5 9.56 7.81 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.431 -0.508 . . . . 15.0 112.179 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.33 136.76 54.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.176 -0.676 . . . . 15.0 109.176 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -83.86 117.37 68.5 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 120.905 -0.318 . . . . 15.0 110.929 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.776 2.318 . . . . 15.0 111.84 172.617 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 49.5 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.2 m -97.69 110.55 23.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.462 0.172 . . . . 15.0 111.049 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.53 93.07 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.908 -1.145 . . . . 15.0 107.908 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -116.7 146.07 43.02 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.825 -0.35 . . . . 15.0 110.787 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.39 122.3 44.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.142 0.496 . . . . 15.0 110.444 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.6 t -89.75 149.99 22.49 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.973 174.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.57 -2.38 4.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 15.0 112.081 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.89 -3.16 50.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.508 0.67 . . . . 15.0 109.707 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.96 37.24 8.54 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.733 -0.667 . . . . 15.0 112.417 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 440' ' ' THR . 57.8 mttp -141.44 135.89 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.824 0.345 . . . . 15.0 110.836 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -90.07 129.71 36.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.416 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.2 p90 -131.03 148.18 52.72 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.041 0.448 . . . . 15.0 110.465 -176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.6 m-85 -104.26 100.57 10.29 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.627 0.727 . . . . 15.0 109.933 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -89.26 131.95 35.13 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.518 0.675 . . . . 15.0 110.366 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 41.4 t-20 -90.03 114.39 26.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.794 -1.094 . . . . 15.0 109.37 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -95.76 -2.4 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 15.0 110.061 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -76.07 -51.21 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.696 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.2 t -120.09 0.03 10.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.295 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 44.4 mt 68.64 75.31 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.562 0.696 . . . . 15.0 109.903 -174.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.613 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 38.5 tt0 -135.82 149.49 49.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 15.0 109.553 -172.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.7 t -102.06 111.58 23.9 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.452 -0.573 . . . . 15.0 109.452 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.0 m -119.88 119.1 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.332 0.587 . . . . 15.0 110.98 -174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.416 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 33.4 m95 -115.72 6.62 14.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.375 0.607 . . . . 15.0 110.912 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.55 131.34 56.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 15.0 108.651 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -76.83 121.06 84.14 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.376 -0.53 . . . . 15.0 110.713 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.826 2.351 . . . . 15.0 111.592 176.816 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.78 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 19.6 m95 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.836 -0.431 . . . . 15.0 109.836 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 73.6 m -93.47 103.5 15.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.204 -0.31 . . . . 15.0 110.611 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.04 99.96 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.512 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.7 ttm180 -109.5 139.45 44.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.385 -0.37 . . . . 15.0 110.278 -176.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.12 101.17 13.88 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.467 0.576 . . . . 15.0 110.171 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 139.71 30.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.112 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.57 -2.99 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 15.0 111.579 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.38 -1.71 11.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.475 0.655 . . . . 15.0 110.296 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.81 24.51 29.97 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.542 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -141.82 127.49 19.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.696 0.284 . . . . 15.0 110.709 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.8 m -95.86 99.07 10.91 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.46 -0.941 . . . . 15.0 108.46 170.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.512 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 36.4 p90 -90.15 150.14 22.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 120.783 -0.367 . . . . 15.0 110.939 -172.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.8 m-85 -115.99 95.73 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.198 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.91 129.83 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.811 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.78 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 7.2 t-20 -90.1 132.66 35.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.675 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -107.11 3.85 26.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.745 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.724 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.3 mmp_? -86.71 -49.02 7.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 p -119.64 0.12 10.9 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.846 0.355 . . . . 15.0 110.697 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 68.89 75.19 0.25 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.347 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -133.86 139.25 46.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.796 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.798 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 45.3 p -95.47 103.06 14.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 174.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 m -100.63 115.38 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 15.0 110.171 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.798 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 49.1 m95 -111.74 7.1 20.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.339 0.59 . . . . 15.0 111.042 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -119.86 134.09 55.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.401 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 38.7 mtpt -78.75 121.22 83.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 111.694 0.257 . . . . 15.0 111.694 -175.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.528 2.152 . . . . 15.0 111.742 170.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 121.068 0.461 . . . . 15.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -111.97 -50.63 2.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.369 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.537 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 58.7 m95 -119.21 138.69 52.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 15.0 109.875 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.5 m -89.86 100.7 13.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.156 0.503 . . . . 15.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.08 98.17 11.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 37.7 ttm180 -123.12 149.23 44.78 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -94.85 119.73 33.91 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.186 0.517 . . . . 15.0 111.013 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 446' ' ' TYR . 9.9 t -89.83 150.2 22.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.563 172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 -12.13 5.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.84 0.682 . . . . 15.0 112.84 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.86 -8.73 46.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.324 0.583 . . . . 15.0 110.257 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 22.81 34.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.584 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -122.04 138.56 54.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.808 0.337 . . . . 15.0 110.621 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.9 m -89.91 98.21 11.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 19.6 p90 -92.26 139.54 30.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.749 -0.38 . . . . 15.0 110.31 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.7 m-85 -101.52 91.78 4.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.403 ' O ' ' HB ' ' A' ' 436' ' ' THR . 66.9 t80 -89.49 133.51 34.53 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.18 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.537 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 11.8 t30 -113.19 113.57 25.54 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.045 -0.98 . . . . 15.0 110.495 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -104.82 2.63 30.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.463 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.67 -46.62 45.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.248 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -119.25 0.19 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.028 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.9 mt 70.68 75.12 0.2 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.244 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -150.03 141.56 23.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.859 -176.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -101.91 115.58 30.84 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 122.257 -0.277 . . . . 15.0 110.375 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.7 m -112.68 125.71 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.287 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.3 m95 -116.4 -1.05 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.93 0.395 . . . . 15.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.23 121.74 39.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.315 -0.624 . . . . 15.0 109.315 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -67.24 118.28 54.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 111.504 0.187 . . . . 15.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.127 2.551 . . . . 15.0 112.374 176.032 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 121.03 0.443 . . . . 15.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -96.69 -23.12 16.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.705 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.488 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 8.3 m95 -106.17 119.8 40.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.679 -0.237 . . . . 15.0 110.611 -175.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.682 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -92.67 109.71 21.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.331 -0.231 . . . . 15.0 110.956 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.76 92.31 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.273 -1.01 . . . . 15.0 108.273 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -123.94 145.34 49.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.492 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -120.43 118.48 30.41 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.024 0.44 . . . . 15.0 110.696 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.6 t -89.79 150.26 22.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.07 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.95 -6.09 3.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.163 0.431 . . . . 15.0 112.163 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.09 -9.16 54.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.42 0.628 . . . . 15.0 110.077 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 27.52 21.95 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.663 -0.699 . . . . 15.0 111.548 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -124.67 117.89 25.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 15.0 110.863 -176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.3 m -89.9 101.11 13.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.762 -0.829 . . . . 15.0 108.762 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -105.84 145.3 31.39 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.61 -0.436 . . . . 15.0 110.566 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.682 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.5 m-85 -111.39 97.93 7.11 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.554 -0.748 . . . . 15.0 109.481 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -89.45 133.57 34.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.473 0.654 . . . . 15.0 110.653 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.488 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 48.7 t-20 -89.63 115.42 27.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.81 -1.087 . . . . 15.0 109.262 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.66 -5.45 51.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.496 0.665 . . . . 15.0 110.055 -173.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.728 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 1.7 mmp_? -105.12 -21.25 13.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.465 0.543 . . . . 15.0 112.465 -177.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -120.12 -0.31 10.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.611 0.243 . . . . 15.0 110.942 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.1 mt 60.09 31.69 20.68 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.711 0.767 . . . . 15.0 109.775 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 41.4 tt0 -101.75 149.66 23.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.687 -1.142 . . . . 15.0 109.851 -173.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 p -110.65 108.08 17.87 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.925 0.393 . . . . 15.0 110.418 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 19.0 m -113.29 121.6 44.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -113.56 5.75 16.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.312 0.577 . . . . 15.0 111.354 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.428 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 62.8 mm-40 -116.61 127.03 54.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.27 -0.877 . . . . 15.0 108.653 170.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.2 mtpp -73.95 117.24 59.69 Favored Pre-proline 0 N--CA 1.467 0.414 0 N-CA-C 111.877 0.325 . . . . 15.0 111.877 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 33.0 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 122.41 2.073 . . . . 15.0 111.568 169.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 121.274 0.559 . . . . 15.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.13 110.67 23.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.979 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -136.28 141.94 43.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.457 -0.338 . . . . 15.0 110.654 -173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 65.0 m -89.71 91.49 8.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.95 100.32 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.686 -0.857 . . . . 15.0 108.686 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -130.66 149.17 52.43 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -103.95 121.06 42.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.479 0.656 . . . . 15.0 111.139 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -89.59 150.2 22.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.209 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.07 -3.5 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.921 -0.581 . . . . 15.0 112.367 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -76.71 -2.21 31.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.335 0.588 . . . . 15.0 110.04 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.42 17.53 Favored Glycine 0 CA--C 1.509 -0.298 0 CA-C-N 115.784 -0.644 . . . . 15.0 112.273 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -138.41 132.18 31.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.941 0.4 . . . . 15.0 110.615 -175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.3 m -89.74 99.68 12.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.226 -0.657 . . . . 15.0 109.226 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -90.08 140.2 29.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 120.608 -0.437 . . . . 15.0 110.009 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.78 103.43 11.96 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.836 -0.802 . . . . 15.0 108.836 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -89.2 127.41 35.75 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.31 0.576 . . . . 15.0 110.662 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 36.1 t-20 -90.02 111.83 23.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.111 -0.949 . . . . 15.0 109.139 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.05 0.44 55.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.554 0.692 . . . . 15.0 109.646 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -79.98 -56.95 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.357 -0.838 . . . . 15.0 109.79 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 35.4 p -110.01 0.31 18.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.935 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 452' ' ' THR . 9.5 mp 70.45 34.42 2.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.641 0.734 . . . . 15.0 110.061 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.8 tt0 -90.06 145.22 25.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.905 -1.043 . . . . 15.0 109.956 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.549 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 78.5 p -94.91 108.37 20.41 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.927 -0.768 . . . . 15.0 108.927 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 24.2 m -99.87 119.55 38.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.397 -173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 69.0 m95 -120.94 7.62 10.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.219 0.533 . . . . 15.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -119.87 120.18 35.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.153 -1.054 . . . . 15.0 108.153 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 28.6 mtpp -65.02 117.12 36.13 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 111.977 0.362 . . . . 15.0 111.977 -175.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.92 2.414 . . . . 15.0 112.134 175.668 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.103 0.478 . . . . 15.0 110.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 1.4 pm0 -80.15 -6.4 57.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.39 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 48.9 m95 -91.17 113.75 26.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.5 m -90.11 110.98 21.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 15.0 111.518 -177.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -92.1 90.36 7.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.014 -0.735 . . . . 15.0 109.014 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.566 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 42.0 ttm180 -105.37 126.38 52.04 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.08 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 18.4 pttm -92.38 112.15 23.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.96 0.8 . . . . 15.0 110.345 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.9 t -89.86 149.96 22.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.114 0.483 . . . . 15.0 110.194 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.91 -8.02 9.95 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.319 -0.855 . . . . 15.0 112.929 -171.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.52 -7.3 37.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.565 0.698 . . . . 15.0 110.048 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.08 29.37 15.24 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.647 -0.706 . . . . 15.0 112.439 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 440' ' ' THR . 13.4 pttm -150.03 146.17 26.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.919 0.39 . . . . 15.0 110.961 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.6 t -97.57 144.99 26.69 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.687 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.587 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 38.2 p90 -125.91 134.12 51.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.498 ' HA ' ' O ' ' A' ' 436' ' ' THR . 12.9 m-85 -93.24 89.9 6.6 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 121.381 0.61 . . . . 15.0 109.801 -178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -89.79 123.64 33.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.987 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 12.5 t-20 -106.28 142.33 36.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.943 -0.571 . . . . 15.0 111.214 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -106.33 8.52 31.79 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.272 0.558 . . . . 15.0 110.289 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.507 ' HG3' ' HG3' ' A' ' 434' ' ' GLU . 35.0 mmt180 -79.38 -63.49 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.171 0.51 . . . . 15.0 110.491 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.1 p -107.12 -0.01 23.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.341 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 63.2 65.62 0.77 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.322 -0.854 . . . . 15.0 109.461 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -123.13 140.78 52.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.963 -1.017 . . . . 15.0 110.123 -174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.5 t -106.39 100.77 10.28 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.233 -0.654 . . . . 15.0 109.233 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.68 144.26 30.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.354 -175.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 73.7 m95 -125.14 1.3 7.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.345 0.869 . . . . 15.0 113.345 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -120.08 136.92 54.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -82.15 121.71 78.99 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.585 0.231 . . . . 15.0 111.346 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.759 2.306 . . . . 15.0 111.792 175.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.249 -0.649 . . . . 15.0 109.249 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -93.18 -33.17 14.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.873 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 15.0 m95 -106.7 116.49 32.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.984 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.9 m -90.1 105.76 18.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.747 0.308 . . . . 15.0 110.448 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.72 99.92 12.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.41 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.7 ttm180 -124.31 139.75 53.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.501 -0.318 . . . . 15.0 110.258 -173.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -103.82 115.05 29.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 118.622 0.647 . . . . 15.0 110.542 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.4 t -89.83 150.0 22.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.212 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.97 1.61 2.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.467 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.23 -11.26 60.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.384 0.612 . . . . 15.0 109.694 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 27.82 19.99 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.155 -0.778 . . . . 15.0 111.155 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -138.29 134.9 34.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 15.0 110.97 -174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.6 m -97.73 103.99 15.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 171.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.411 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 35.0 p90 -100.23 143.76 30.06 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.906 0.384 . . . . 15.0 110.307 -174.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 459' ' ' LYS . 6.3 m-85 -107.67 94.27 4.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.449 0.643 . . . . 15.0 109.539 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -89.37 127.48 35.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.411 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.459 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 18.6 t30 -90.04 120.45 31.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.62 -0.718 . . . . 15.0 109.592 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.05 -3.13 58.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.914 -0.584 . . . . 15.0 109.905 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -82.41 -40.86 20.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.251 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 m -120.07 -0.08 10.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.374 -0.375 . . . . 15.0 111.603 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 62.8 29.36 16.68 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.826 0.822 . . . . 15.0 109.082 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -89.93 134.84 33.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.279 -1.328 . . . . 15.0 109.931 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.4 t -98.41 108.32 20.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.715 -0.394 . . . . 15.0 109.974 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 17.8 m -107.13 120.72 42.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.817 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.411 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 44.1 m95 -115.78 3.92 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.304 0.573 . . . . 15.0 111.368 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -120.15 123.46 43.36 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.542 -0.911 . . . . 15.0 108.542 170.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.471 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 22.4 mtpt -62.09 124.51 82.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.973 -0.291 . . . . 15.0 110.591 -176.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo . . . . . 0 C--O 1.245 0.875 0 C-N-CA 122.518 2.145 . . . . 15.0 111.535 177.476 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.462 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 3.5 mp0 -94.82 -37.7 11.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.631 0.65 . . . . 15.0 110.048 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.45 ' HZ3' ' ND2' ' A' ' 449' ' ' ASN . 30.0 m95 -117.18 135.1 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 15.0 109.682 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.58 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.8 m -97.49 101.07 12.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 172.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.425 ' HG3' ' HD1' ' A' ' 447' ' ' TYR . 27.8 mp0 -89.69 95.95 10.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.642 -0.873 . . . . 15.0 108.642 176.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.65 146.26 50.92 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.902 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -99.61 124.39 44.78 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.12 0.486 . . . . 15.0 110.043 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.5 t -89.59 150.27 22.47 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.593 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -14.93 17.24 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.917 0.71 . . . . 15.0 112.917 -170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.25 -7.29 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.211 0.529 . . . . 15.0 110.659 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 34.59 7.98 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.973 -0.632 . . . . 15.0 112.336 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -124.49 130.33 52.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.7 0.286 . . . . 15.0 110.411 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.5 m -89.99 97.46 11.2 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 15.0 108.843 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -103.04 146.76 27.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.094 0.474 . . . . 15.0 110.604 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.4 m-85 -112.03 101.0 9.32 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.436 -0.802 . . . . 15.0 109.522 -176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.14 130.18 35.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.297 0.57 . . . . 15.0 110.487 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 49.4 t-20 -89.94 115.6 27.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.179 -0.919 . . . . 15.0 109.844 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -99.86 1.61 43.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.146 0.498 . . . . 15.0 110.398 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.462 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 39.6 mmt180 -91.08 -43.76 9.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.267 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 m -117.38 0.01 12.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 15.0 111.017 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 86.6 mt 60.5 75.0 0.43 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.52 0.676 . . . . 15.0 110.034 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 33.9 tt0 -142.39 144.4 33.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.22 -172.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t -95.94 99.5 11.28 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.701 -0.851 . . . . 15.0 108.701 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.4 m -107.33 102.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.28 0.562 . . . . 15.0 111.183 -171.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -104.42 7.63 35.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.683 0.754 . . . . 15.0 110.207 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.24 131.27 54.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.833 -1.076 . . . . 15.0 109.213 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 7.4 mtpm? -74.55 126.73 88.41 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 15.0 111.722 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--O 1.247 0.962 0 C-N-CA 122.752 2.302 . . . . 15.0 111.947 176.055 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 121.222 0.535 . . . . 15.0 110.694 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.68 -13.26 56.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.799 0.809 . . . . 15.0 109.355 176.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 51.8 m95 -114.14 150.22 34.47 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.352 -1.294 . . . . 15.0 109.265 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 88.2 m -89.11 90.87 8.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.528 -0.915 . . . . 15.0 108.528 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -89.94 89.92 7.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 15.0 109.135 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -133.77 145.95 50.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 15.0 109.55 -173.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -117.22 124.96 50.35 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.787 -0.57 . . . . 15.0 110.61 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 150.1 22.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.847 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -2.1 2.51 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -73.32 -5.43 39.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.242 0.544 . . . . 15.0 109.661 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 33.57 8.87 Favored Glycine 0 C--N 1.335 0.486 0 CA-C-N 115.586 -0.734 . . . . 15.0 112.508 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.69 128.37 20.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.763 0.316 . . . . 15.0 110.905 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.6 m -89.78 116.85 28.19 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -115.85 149.5 38.52 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.318 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.2 m-85 -119.16 100.98 7.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.316 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.476 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 89.2 t80 -89.31 128.58 35.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.304 0.573 . . . . 15.0 111.125 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.689 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 43.7 t-20 -89.72 111.36 22.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.249 -0.887 . . . . 15.0 109.042 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -93.5 -2.0 54.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.325 0.583 . . . . 15.0 110.24 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -84.06 -39.88 19.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.458 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.4 m -120.03 0.13 10.69 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.465 -177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 79.1 mt 67.65 32.72 5.35 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.477 0.656 . . . . 15.0 110.221 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 35.6 tt0 -89.82 148.21 23.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.272 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 t -111.97 102.6 10.83 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 m -94.67 117.15 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.058 -174.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -116.42 2.14 13.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 15.0 111.244 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -120.14 117.39 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.1 -0.704 . . . . 15.0 109.1 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -59.94 122.81 68.56 Favored Pre-proline 0 N--CA 1.465 0.28 0 O-C-N 123.189 0.305 . . . . 15.0 111.809 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.252 1.178 0 C-N-CA 121.949 1.766 . . . . 15.0 111.434 168.223 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 1.5 pm0 -73.71 -13.86 61.04 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.432 0.634 . . . . 15.0 109.609 172.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -92.08 137.75 32.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 448' ' ' TYR . 89.9 m -90.01 99.83 12.76 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.506 -0.478 . . . . 15.0 109.813 174.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.69 95.67 10.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.419 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 76.3 ttt180 -122.73 115.27 21.77 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.047 -171.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.98 111.9 23.13 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.334 0.97 . . . . 15.0 110.542 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.5 t -89.96 150.0 22.34 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.57 -2.15 6.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.357 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.28 -13.25 57.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.35 0.595 . . . . 15.0 109.718 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 29.25 16.06 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.372 -0.831 . . . . 15.0 111.992 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -141.36 141.47 33.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 15.0 110.815 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 53.9 m -102.82 107.62 18.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.193 -0.669 . . . . 15.0 109.193 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.419 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 14.8 p90 -99.71 145.33 27.76 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.685 -0.406 . . . . 15.0 110.307 -176.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.18 103.93 12.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.817 -0.629 . . . . 15.0 109.675 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.549 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 81.1 t80 -89.41 132.8 34.82 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.357 0.598 . . . . 15.0 110.884 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.839 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 46.9 t-20 -89.77 118.83 29.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.169 -0.923 . . . . 15.0 109.191 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -98.39 -5.35 32.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.669 0.271 . . . . 15.0 111.04 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -84.49 -41.91 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.4 m -114.73 -0.83 13.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.496 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 81.4 mt 57.37 75.02 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.976 -173.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 10.6 tt0 -132.23 149.58 52.35 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.122 -0.945 . . . . 15.0 110.376 -169.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.443 ' HG ' ' HE1' ' A' ' 457' ' ' TRP . 15.3 t -97.31 98.93 10.4 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.334 -0.617 . . . . 15.0 109.334 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.9 m -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 15.0 110.841 -173.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HE1' ' HG ' ' A' ' 455' ' ' SER . 42.6 m95 -117.68 8.51 12.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.426 0.631 . . . . 15.0 111.235 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -119.77 128.38 53.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.323 -0.992 . . . . 15.0 108.323 168.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 43.0 mtpt -64.86 122.68 80.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 111.501 0.185 . . . . 15.0 111.501 -175.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 25.2 Cg_endo . . . . . 0 C--O 1.249 1.033 0 C-N-CA 122.96 2.44 . . . . 15.0 111.974 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 120.93 0.395 . . . . 15.0 110.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.02 -40.71 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.707 -0.849 . . . . 15.0 108.707 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -130.57 123.26 29.14 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.101 -0.954 . . . . 15.0 109.225 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 86.6 m -89.89 105.05 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.785 0.326 . . . . 15.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.94 91.92 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 43.2 ttm180 -105.33 132.18 51.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.727 -175.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -89.93 116.2 27.81 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.959 0.799 . . . . 15.0 110.322 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.74 140.44 29.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.922 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.89 -10.49 21.12 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.299 0.481 . . . . 15.0 112.299 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.62 -8.91 30.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.151 0.501 . . . . 15.0 110.798 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 28.0 19.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.065 -0.588 . . . . 15.0 111.984 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.428 ' HD2' ' CZ3' ' A' ' 457' ' ' TRP . 10.0 pttm -141.5 130.08 22.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.94 0.4 . . . . 15.0 110.393 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.9 m -90.19 118.12 29.47 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.74 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 34.3 p90 -102.65 136.57 42.24 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.319 -0.552 . . . . 15.0 110.193 -178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.5 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.0 m-85 -99.39 91.55 4.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.306 0.574 . . . . 15.0 109.668 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.406 ' O ' ' HB ' ' A' ' 436' ' ' THR . 28.1 t80 -89.54 121.37 31.69 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.497 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.546 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.4 t-20 -94.35 131.02 40.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.709 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.8 -6.33 46.17 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 15.0 110.709 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.546 ' HB2' HD21 ' A' ' 449' ' ' ASN . 23.1 mmt180 -70.65 -68.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.231 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.4 t -100.68 0.35 38.91 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 86.7 mt 70.24 44.91 0.7 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.314 -0.857 . . . . 15.0 109.716 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 452' ' ' THR . 33.8 tt0 -93.02 138.37 31.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.08 -0.964 . . . . 15.0 110.573 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -92.79 101.84 14.23 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.385 -0.969 . . . . 15.0 108.385 171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 8.2 m -100.8 124.38 46.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 15.0 110.206 -173.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.428 ' CZ3' ' HD2' ' A' ' 444' ' ' LYS . 57.6 m95 -122.52 4.18 9.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.053 0.454 . . . . 15.0 111.84 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -115.26 120.79 40.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -75.4 118.79 73.4 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 121.045 -0.262 . . . . 15.0 111.065 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo . . . . . 0 C--O 1.247 0.972 0 C-N-CA 123.05 2.5 . . . . 15.0 112.114 178.468 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.126 -0.324 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . 3.8 tp10 -69.37 -50.8 42.82 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.398 -0.593 . . . . 15.0 109.398 178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -109.83 129.32 55.65 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.603 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.8 m -89.65 104.39 16.95 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.93 -0.308 . . . . 15.0 110.87 -178.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.77 102.65 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.103 -0.703 . . . . 15.0 109.103 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -143.51 142.48 31.15 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.108 -0.701 . . . . 15.0 109.108 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -102.68 123.17 45.89 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.868 0.842 . . . . 15.0 111.015 -178.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 442' ' ' ASP . 7.2 t -89.7 150.4 22.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.156 -1.383 . . . . 15.0 109.785 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.0 -3.74 0.62 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.303 0.482 . . . . 15.0 112.303 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 440' ' ' THR . 22.9 t70 -67.62 -13.1 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.458 0.647 . . . . 15.0 109.997 171.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.32 10.89 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.595 -0.729 . . . . 15.0 112.313 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 15.0 111.441 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.5 m -89.94 100.27 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.054 -0.721 . . . . 15.0 109.054 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -103.29 142.54 34.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.612 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.603 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.5 m-85 -108.76 99.2 8.59 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.751 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -89.68 128.67 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.326 0.584 . . . . 15.0 110.591 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -102.08 126.51 49.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.175 -0.921 . . . . 15.0 110.261 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.65 -13.74 36.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.103 0.478 . . . . 15.0 110.462 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -67.37 -41.97 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.046 -0.524 . . . . 15.0 110.753 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 -0.15 10.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.132 -176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 90.5 mt 62.16 25.9 15.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.918 0.866 . . . . 15.0 109.363 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -89.93 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.065 -1.425 . . . . 15.0 110.564 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.606 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.3 m -102.7 110.43 22.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.647 -0.421 . . . . 15.0 110.509 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.5 m -103.21 122.37 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.606 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 42.0 m95 -112.71 1.16 15.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 15.0 111.625 -174.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.76 132.22 56.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.353 172.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -72.58 119.82 77.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.919 -0.312 . . . . 15.0 111.693 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.8 2.333 . . . . 15.0 111.502 169.583 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.377 0.132 . . . . 15.0 110.809 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -39.77 81.68 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.867 0.841 . . . . 15.0 108.926 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 32.5 m95 -93.54 144.88 24.95 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.298 -1.319 . . . . 15.0 108.065 173.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.598 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.9 m -89.69 100.09 12.97 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.243 -0.651 . . . . 15.0 109.243 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -89.98 90.14 8.02 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.635 -0.876 . . . . 15.0 108.635 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -117.15 129.59 56.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.003 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -89.93 113.58 25.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 119.209 0.913 . . . . 15.0 108.987 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 m -89.74 141.0 29.03 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.131 -175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.87 3.36 3.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.51 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -84.24 6.59 22.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.886 0.851 . . . . 15.0 109.389 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.19 19.6 56.91 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.133 -0.94 . . . . 15.0 113.011 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -145.9 134.22 21.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.852 0.358 . . . . 15.0 110.847 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.4 m -92.06 120.19 32.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.187 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.4 p90 -108.17 149.89 27.95 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.639 -0.424 . . . . 15.0 110.664 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.598 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-85 -116.96 93.63 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.375 0.607 . . . . 15.0 109.641 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.65 120.2 30.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 15.0 111.032 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t30 -95.54 130.56 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.97 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -100.2 -3.75 30.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.177 0.513 . . . . 15.0 110.256 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.479 ' HB2' HD21 ' A' ' 449' ' ' ASN . 50.2 mmt-85 -71.41 -44.22 65.29 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.999 0.428 . . . . 15.0 110.97 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.9 p -119.74 0.23 10.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.368 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.0 mt 59.06 71.63 0.57 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.806 0.812 . . . . 15.0 109.258 -170.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -133.88 121.38 21.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.682 -1.144 . . . . 15.0 109.845 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.5 t -89.79 100.21 13.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.424 -0.584 . . . . 15.0 109.424 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.8 m -105.5 117.15 33.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.367 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.455 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 39.1 m95 -105.36 -1.4 25.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.337 0.589 . . . . 15.0 110.427 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.79 149.9 26.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.566 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -92.53 120.03 67.66 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 120.48 -0.488 . . . . 15.0 111.179 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.248 0.978 0 C-N-CA 122.786 2.324 . . . . 15.0 111.861 175.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.14 0.495 . . . . 15.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.6 OUTLIER -91.85 -12.96 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.286 -176.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -91.05 132.97 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.375 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.6 m -105.15 108.02 19.32 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.448 -0.101 . . . . 15.0 111.098 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.436 ' HG3' ' CD1' ' A' ' 447' ' ' TYR . 12.5 mp0 -89.63 93.55 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.114 -0.699 . . . . 15.0 109.114 173.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 79.8 ttt180 -99.37 128.39 45.48 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.381 -0.6 . . . . 15.0 109.381 -177.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -89.65 107.08 18.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 119.485 1.038 . . . . 15.0 109.203 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.473 ' OG1' ' HD1' ' A' ' 446' ' ' TYR . 1.4 m -89.75 144.22 26.15 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.472 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.55 -0.74 4.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.37 0.508 . . . . 15.0 112.37 -173.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.58 -4.33 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.479 0.657 . . . . 15.0 109.732 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 20.15 44.05 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.629 -0.714 . . . . 15.0 111.708 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -127.92 128.99 46.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.353 . . . . 15.0 110.877 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.2 m -93.13 98.82 11.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.981 -0.748 . . . . 15.0 108.981 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 9.1 p90 -98.8 146.28 26.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.242 0.544 . . . . 15.0 110.602 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 7.9 m-85 -104.97 102.78 12.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.553 -173.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -89.2 121.63 31.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.17 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.474 HD21 ' HB2' ' A' ' 451' ' ' ARG . 30.4 t30 -104.92 128.11 53.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.142 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.75 -9.22 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.967 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 449' ' ' ASN . 26.3 mmm180 -66.07 -46.75 76.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.889 0.376 . . . . 15.0 111.162 -178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.4 p -119.81 -0.01 10.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.965 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 452' ' ' THR . 96.8 mt 69.75 31.43 3.54 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.868 0.73 . . . . 15.0 109.728 -174.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.86 136.74 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.12 -0.945 . . . . 15.0 110.66 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 t -99.29 103.81 15.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.666 -0.864 . . . . 15.0 108.666 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 m -102.0 125.74 48.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.1 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -115.53 -2.94 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.116 0.413 . . . . 15.0 112.116 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -120.21 137.9 53.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.865 -0.791 . . . . 15.0 108.865 168.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 10.1 mtpm? -70.0 126.03 92.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.05 0.452 . . . . 15.0 112.186 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--O 1.246 0.89 0 C-N-CA 123.447 2.765 . . . . 15.0 112.217 177.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.981 0.419 . . . . 15.0 110.551 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.452 -0.944 . . . . 15.0 108.452 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 41.7 m95 -117.45 145.79 43.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.552 -1.203 . . . . 15.0 108.462 173.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 95.7 m -90.03 102.06 14.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.272 -0.27 . . . . 15.0 110.272 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.91 102.61 15.32 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.602 -0.888 . . . . 15.0 108.602 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -136.13 150.04 48.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.02 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -100.73 121.57 41.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.222 0.534 . . . . 15.0 110.288 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.88 150.24 22.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.807 -0.633 . . . . 15.0 109.698 174.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -12.0 6.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.084 -0.507 . . . . 15.0 112.237 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.63 -7.52 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.234 0.54 . . . . 15.0 110.4 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 35.62 7.55 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.113 -0.565 . . . . 15.0 112.328 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 130.5 36.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.747 0.308 . . . . 15.0 110.848 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 35.7 m -89.98 93.78 9.54 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.622 -0.881 . . . . 15.0 108.622 173.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -100.97 144.19 30.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.69 -173.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 26.0 m-85 -103.9 99.44 9.21 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.966 -177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -89.62 121.25 31.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.32 0.581 . . . . 15.0 110.148 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 38.1 t30 -90.01 130.36 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.786 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.56 ' H ' HD22 ' A' ' 450' ' ' ASN . 0.1 OUTLIER -96.06 -5.57 40.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -72.98 -64.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.891 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 27.5 p -106.37 -0.21 24.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.975 0.417 . . . . 15.0 110.742 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.6 74.88 0.41 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.226 -0.897 . . . . 15.0 109.986 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.98 137.71 51.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.242 -0.89 . . . . 15.0 109.061 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.837 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 43.6 m -96.99 102.11 13.82 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.585 -0.446 . . . . 15.0 110.235 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 m -98.73 112.72 24.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.961 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.837 ' HE1' ' HB3' ' A' ' 455' ' ' SER . 43.1 m95 -107.73 -3.69 18.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.089 0.471 . . . . 15.0 111.416 -174.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -120.03 131.11 55.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.373 -0.973 . . . . 15.0 108.373 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.621 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 3.6 mtpm? -63.33 126.58 89.63 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 113.789 1.033 . . . . 15.0 113.789 -170.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 C--O 1.253 1.274 0 C-N-CA 122.546 2.164 . . . . 15.0 111.12 164.799 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.625 0.25 . . . . 15.0 111.444 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.529 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 9.7 pt-20 -82.1 -16.73 48.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.4 . . . . 15.0 110.766 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.547 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 11.2 m95 -100.49 120.94 40.76 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.755 -0.657 . . . . 15.0 110.627 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.4 m -89.98 90.46 8.16 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.278 -0.638 . . . . 15.0 109.278 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.9 95.4 10.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.03 -0.73 . . . . 15.0 109.03 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -126.58 149.95 49.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.367 -0.833 . . . . 15.0 110.247 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 47.6 mtpt -95.08 125.03 39.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.093 0.473 . . . . 15.0 110.498 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -89.54 150.07 22.6 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.09 -10.92 4.89 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 -171.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 15.5 t70 -73.22 -8.86 57.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.479 0.657 . . . . 15.0 110.001 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 28.14 18.98 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.697 -0.683 . . . . 15.0 112.147 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 58.5 mttm -122.2 133.24 54.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.778 0.323 . . . . 15.0 110.399 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 m -90.01 101.06 13.77 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.479 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 21.5 p90 -100.21 139.09 36.37 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.892 -0.323 . . . . 15.0 110.57 -174.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.5 98.45 8.22 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.323 -0.621 . . . . 15.0 109.323 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -89.35 132.75 34.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.544 0.687 . . . . 15.0 110.499 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.547 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 8.1 t-20 -89.67 125.79 35.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.174 -0.921 . . . . 15.0 110.405 -175.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.49 -4.7 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.282 0.563 . . . . 15.0 110.054 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.529 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 17.1 mtm180 -72.53 -58.59 3.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.072 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 5.5 m -119.81 0.1 10.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.027 -175.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 452' ' ' THR . 8.8 mp 69.55 75.11 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.98 0.895 . . . . 15.0 109.414 -172.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 34.6 tt0 -131.4 150.04 52.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.515 -1.22 . . . . 15.0 109.028 -171.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.476 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 69.4 p -103.19 111.21 23.48 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.382 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.1 m -111.7 126.53 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.96 -0.385 . . . . 15.0 109.96 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 59.1 m95 -120.96 6.25 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.495 -0.482 . . . . 15.0 112.237 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -120.07 130.73 54.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.95 -0.759 . . . . 15.0 108.95 170.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -75.84 116.67 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.057 0.392 . . . . 15.0 112.057 -175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo . . . . . 0 C--O 1.248 0.997 0 C-N-CA 122.591 2.194 . . . . 15.0 111.426 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.318 -0.252 . . . . 15.0 110.318 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.26 -21.13 18.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.276 0.56 . . . . 15.0 110.293 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -96.18 137.39 35.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 15.0 110.495 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 97.1 m -89.47 99.54 12.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.939 -0.393 . . . . 15.0 109.939 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.99 93.27 9.34 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -115.37 137.9 51.56 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.227 -0.897 . . . . 15.0 109.351 -174.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.35 116.09 28.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.568 0.622 . . . . 15.0 110.878 -175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.582 ' HG1' ' HD1' ' A' ' 446' ' ' TYR . 0.2 OUTLIER -89.69 139.39 30.61 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.586 172.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.04 -10.62 10.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.784 0.661 . . . . 15.0 112.784 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.55 -5.28 41.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.076 0.465 . . . . 15.0 110.816 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.9 37.39 6.84 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.231 -0.748 . . . . 15.0 111.231 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.88 124.48 19.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.27 -0.465 . . . . 15.0 110.239 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 m -90.6 99.91 12.85 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 171.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.582 ' HD1' ' HG1' ' A' ' 440' ' ' THR . 28.0 p90 -93.72 145.31 24.67 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 120.282 -0.567 . . . . 15.0 110.689 -173.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.2 m-85 -106.49 101.52 10.98 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.497 -0.774 . . . . 15.0 109.857 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -89.04 122.65 32.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 15.0 110.597 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 47.9 t-20 -89.89 116.31 27.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.898 -1.046 . . . . 15.0 108.833 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -91.15 -3.36 57.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.482 . . . . 15.0 110.323 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -82.99 -40.84 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.159 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.7 m -120.1 0.04 10.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.867 -0.606 . . . . 15.0 111.884 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.7 mp 63.58 27.35 14.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.45 0.643 . . . . 15.0 110.126 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 26.1 tt0 -90.08 150.33 22.11 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.501 -175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 m -112.25 108.37 17.56 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.017 172.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 137.46 38.3 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.812 . . . . 15.0 108.806 -177.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -125.5 9.56 7.81 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.431 -0.508 . . . . 15.0 112.179 -174.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.33 136.76 54.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.176 -0.676 . . . . 15.0 109.176 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -83.86 117.37 68.5 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 120.905 -0.318 . . . . 15.0 110.929 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.776 2.318 . . . . 15.0 111.84 172.617 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.476 0.849 0 CA-C-O 121.145 0.498 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HB3' ' HD3' ' A' ' 451' ' ' ARG . 2.4 mp0 -96.87 -13.06 22.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.803 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -118.51 128.02 54.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.945 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.2 m -97.69 110.55 23.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.462 0.172 . . . . 15.0 111.049 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.53 93.07 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.908 -1.145 . . . . 15.0 107.908 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -116.7 146.07 43.02 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.825 -0.35 . . . . 15.0 110.787 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -102.39 122.3 44.01 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.142 0.496 . . . . 15.0 110.444 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.6 t -89.75 149.99 22.49 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.973 174.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.57 -2.38 4.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 15.0 112.081 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -80.89 -3.16 50.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.508 0.67 . . . . 15.0 109.707 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.96 37.24 8.54 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.733 -0.667 . . . . 15.0 112.417 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 440' ' ' THR . 57.8 mttp -141.44 135.89 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.824 0.345 . . . . 15.0 110.836 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -90.07 129.71 36.33 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.416 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.2 p90 -131.03 148.18 52.72 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.041 0.448 . . . . 15.0 110.465 -176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.6 m-85 -104.26 100.57 10.29 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 121.627 0.727 . . . . 15.0 109.933 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -89.26 131.95 35.13 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.518 0.675 . . . . 15.0 110.366 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 454' ' ' GLU . 41.4 t-20 -90.03 114.39 26.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.794 -1.094 . . . . 15.0 109.37 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -95.76 -2.4 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.249 0.547 . . . . 15.0 110.061 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.476 ' HD3' ' HB3' ' A' ' 434' ' ' GLU . 59.6 mtm180 -76.07 -51.21 12.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.745 -0.662 . . . . 15.0 110.696 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.2 t -120.09 0.03 10.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.295 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 44.4 mt 68.64 75.31 0.26 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.562 0.696 . . . . 15.0 109.903 -174.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.613 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 38.5 tt0 -135.82 149.49 49.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 15.0 109.553 -172.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.7 t -102.06 111.58 23.9 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.452 -0.573 . . . . 15.0 109.452 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.0 m -119.88 119.1 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.332 0.587 . . . . 15.0 110.98 -174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.416 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 33.4 m95 -115.72 6.62 14.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.375 0.607 . . . . 15.0 110.912 -176.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.55 131.34 56.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 15.0 108.651 169.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -76.83 121.06 84.14 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.376 -0.53 . . . . 15.0 110.713 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.826 2.351 . . . . 15.0 111.592 176.816 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.129 0.49 . . . . 15.0 110.691 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -87.18 -4.91 59.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.076 -176.039 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.78 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 19.6 m95 -104.29 121.81 44.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.836 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 73.6 m -93.47 103.5 15.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.204 -0.31 . . . . 15.0 110.611 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.04 99.96 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.512 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.7 ttm180 -109.5 139.45 44.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.385 -0.37 . . . . 15.0 110.278 -176.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.12 101.17 13.88 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.467 0.576 . . . . 15.0 110.171 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 139.71 30.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.112 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.57 -2.99 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.431 . . . . 15.0 111.579 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.38 -1.71 11.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.475 0.655 . . . . 15.0 110.296 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.81 24.51 29.97 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.542 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -141.82 127.49 19.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.696 0.284 . . . . 15.0 110.709 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.8 m -95.86 99.07 10.91 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.46 -0.941 . . . . 15.0 108.46 170.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.512 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 36.4 p90 -90.15 150.14 22.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 120.783 -0.367 . . . . 15.0 110.939 -172.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.8 m-85 -115.99 95.73 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.198 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.91 129.83 36.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.811 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.78 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 7.2 t-20 -90.1 132.66 35.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 15.0 110.675 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -107.11 3.85 26.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.745 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.724 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.3 mmp_? -86.71 -49.02 7.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.9 p -119.64 0.12 10.9 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.846 0.355 . . . . 15.0 110.697 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 77.9 mt 68.89 75.19 0.25 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.326 -0.852 . . . . 15.0 110.347 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -133.86 139.25 46.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.104 -0.953 . . . . 15.0 109.796 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.798 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 45.3 p -95.47 103.06 14.91 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 174.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 m -100.63 115.38 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 15.0 110.171 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.798 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 49.1 m95 -111.74 7.1 20.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.339 0.59 . . . . 15.0 111.042 -175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -119.86 134.09 55.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.401 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 38.7 mtpt -78.75 121.22 83.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 111.694 0.257 . . . . 15.0 111.694 -175.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.528 2.152 . . . . 15.0 111.742 170.56 . . . . . . . . 0 0 . 1 stop_ save_