data_2mwf_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 2mwf _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 . . . . . 0.414 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 43.9 m95 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 109.413 -0.588 . . . . 15.0 109.413 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.7 m -89.74 104.42 16.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 15.0 110.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.8 pt-20 -90.12 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.738 -1.119 . . . . 15.0 109.239 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.55 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.5 ttt180 -115.04 113.47 24.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.417 -0.81 . . . . 15.0 109.662 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -89.71 98.61 11.87 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.906 0.86 . . . . 15.0 110.113 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 37.2 p -89.94 147.18 23.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.78 -1.1 . . . . 15.0 111.903 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.29 -1.32 2.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.107 -0.952 . . . . 15.0 111.427 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.77 -10.4 36.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 15.0 109.697 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.48 27.06 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.334 -0.848 . . . . 15.0 111.839 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -145.93 138.24 25.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 15.0 110.793 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 104.82 16.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.676 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 3.3 p90 -97.13 141.46 30.24 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.488 -0.885 . . . . 15.0 111.197 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.689 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 2.3 m-85 -109.44 89.71 3.08 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.12 -0.946 . . . . 15.0 108.663 170.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -90.01 134.65 34.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.169 0.509 . . . . 15.0 111.567 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.414 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t-20 -138.77 146.98 42.05 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.137 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.07 2.35 54.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.172 -0.922 . . . . 15.0 108.95 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.56 -50.28 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.14 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.3 p -120.36 0.27 10.54 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.118 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.9 mm? 66.26 27.21 10.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.397 0.617 . . . . 15.0 109.628 -170.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.417 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 45.0 mt-10 -103.87 149.76 24.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.589 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.6 p -116.73 113.88 23.22 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.566 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.689 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 43.3 p -94.29 106.92 18.89 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.977 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.676 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 28.4 m95 -91.44 1.19 57.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.081 0.943 . . . . 15.0 108.807 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -112.45 137.98 49.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 113.979 -1.464 . . . . 15.0 107.763 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.45 114.96 32.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -171.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.6 151.84 70.03 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.961 2.441 . . . . 15.0 112.64 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.114 -0.493 . . . . 15.0 110.407 178.215 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 55.3 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.033 -0.729 . . . . 15.0 109.033 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.671 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 83.2 m -89.85 98.54 11.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.849 -0.34 . . . . 15.0 110.357 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.35 90.21 7.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.552 -0.907 . . . . 15.0 108.552 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.547 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -105.96 115.89 31.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.466 0.651 . . . . 15.0 109.927 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.49 ' HB3' HG23 ' A' ' 445' ' ' THR . 2.9 ptpt -91.15 109.07 20.32 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.552 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 61.6 p -89.64 150.15 22.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.652 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.8 21.28 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.55 -3.88 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 15.0 109.795 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.1 26.74 27.82 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.508 -0.769 . . . . 15.0 112.009 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -128.34 118.67 23.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.178 0.513 . . . . 15.0 111.445 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 439' ' ' LYS . 9.6 p -92.07 99.8 12.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.353 -0.839 . . . . 15.0 110.026 173.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.547 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 39.2 p90 -92.82 137.14 32.62 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.856 -0.738 . . . . 15.0 110.204 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 436' ' ' THR . 11.5 m-85 -105.93 97.91 7.66 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.732 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -89.08 120.73 30.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.098 0.951 . . . . 15.0 109.377 170.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.867 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -108.0 137.69 45.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.559 -173.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -95.35 -12.24 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 15.0 111.317 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.867 ' HB2' HD22 ' A' ' 449' ' ' ASN . 21.2 mmm180 -62.51 -47.23 84.85 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.165 0.507 . . . . 15.0 110.609 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 1.008 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.6 OUTLIER -120.38 0.44 10.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.019 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.0 mm? 67.16 31.65 6.6 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.451 0.643 . . . . 15.0 109.978 -173.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 1.008 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -92.56 125.2 37.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.913 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 t -92.35 104.46 16.8 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.792 -1.188 . . . . 15.0 107.792 170.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -120.16 131.27 54.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.594 0.712 . . . . 15.0 109.973 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.487 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 24.2 m95 -113.47 15.22 19.11 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 122.357 1.075 . . . . 15.0 108.718 -170.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.95 132.75 53.77 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.3 -1.773 . . . . 15.0 108.361 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -66.8 115.21 22.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 123.393 0.433 . . . . 15.0 112.048 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.94 132.52 52.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.588 2.859 . . . . 15.0 112.812 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.965 -179.226 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.5 m95 . . . . . 0 C--O 1.224 -0.267 0 N-CA-C 109.841 -0.429 . . . . 15.0 109.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.7 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 40.5 m -89.71 103.68 16.31 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.378 -0.529 . . . . 15.0 109.99 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.622 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -89.76 89.71 7.89 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.965 0.888 . . . . 15.0 108.723 173.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.465 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 75.3 ttt180 -95.79 112.61 24.29 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.297 -0.865 . . . . 15.0 109.801 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.845 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.62 107.13 18.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.129 -0.942 . . . . 15.0 109.775 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.7 p -89.5 147.46 23.97 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.37 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.86 -14.42 45.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.17 -173.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -5.25 35.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.266 0.555 . . . . 15.0 110.698 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 21.99 36.9 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.614 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -113.59 111.34 21.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.805 0.336 . . . . 15.0 110.602 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 p -95.62 115.42 27.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.15 173.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 23.8 p90 -121.93 140.33 52.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.145 -0.622 . . . . 15.0 110.669 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.6 m-85 -105.26 89.68 3.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.442 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.457 ' O ' ' HB ' ' A' ' 436' ' ' THR . 13.7 t80 -89.72 132.19 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.036 0.446 . . . . 15.0 110.699 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -141.4 148.67 39.98 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.039 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.511 ' HA ' HD23 ' A' ' 453' ' ' LEU . 11.5 m120 -87.22 3.27 47.24 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.282 -176.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.574 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 8.7 mmp_? -59.56 -52.96 63.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.076 -0.965 . . . . 15.0 110.192 173.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.812 HG22 ' HB2' ' A' ' 454' ' ' GLU . 2.6 t -120.49 0.42 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.161 176.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.2 mm? 65.36 30.99 10.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.321 0.581 . . . . 15.0 110.395 -175.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.812 ' HB2' HG22 ' A' ' 452' ' ' THR . 6.3 mm-40 -117.29 147.11 42.87 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.211 -0.904 . . . . 15.0 110.394 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.4 p -110.09 115.98 30.74 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.821 -0.627 . . . . 15.0 109.801 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.688 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 41.1 p -95.44 110.5 22.54 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.45 -0.795 . . . . 15.0 109.565 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 33.8 m95 -93.51 -1.04 56.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.849 0.833 . . . . 15.0 109.327 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -111.52 143.02 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.299 -1.319 . . . . 15.0 108.03 164.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.808 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.0 mtpm? -61.13 114.85 11.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 123.161 0.288 . . . . 15.0 111.531 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -63.86 135.45 48.25 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.633 2.222 . . . . 15.0 112.995 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.478 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 3.3 pm0 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.813 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 53.0 m95 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.737 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 60.3 m -89.98 99.66 12.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.659 -0.417 . . . . 15.0 110.553 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -89.85 91.24 8.53 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.3 -1.0 . . . . 15.0 108.3 172.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.504 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 53.9 ttt180 -108.65 112.25 24.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.507 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 30.1 ttmt -90.93 108.2 19.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 15.0 110.113 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.66 149.97 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.478 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.53 0.19 13.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 111.127 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.67 -0.9 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.552 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.05 27.41 40.91 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.509 -0.768 . . . . 15.0 111.334 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -126.71 121.03 30.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.742 0.306 . . . . 15.0 110.497 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -103.46 93.09 4.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 25.0 p90 -92.83 126.52 37.95 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 119.285 -0.966 . . . . 15.0 110.927 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.737 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -97.07 101.4 12.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.77 -1.105 . . . . 15.0 108.266 171.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -88.76 116.43 27.02 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.976 0.893 . . . . 15.0 109.413 172.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.999 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.4 t-20 -89.9 123.48 33.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.857 -1.52 . . . . 15.0 110.969 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -94.14 -8.33 39.8 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.214 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.999 ' HB2' HD22 ' A' ' 449' ' ' ASN . 16.1 mmm-85 -65.35 -49.48 69.22 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.216 0.532 . . . . 15.0 110.7 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.4 m -120.02 0.22 10.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.202 -177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.6 mm? 70.42 32.69 2.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.489 0.661 . . . . 15.0 109.84 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 9.7 mm-40 -95.65 132.13 41.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.674 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.712 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 33.3 p -89.92 111.78 22.95 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 173.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 2.7 p -115.48 113.71 24.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.02 -174.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.712 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 24.0 m95 -107.72 14.38 25.63 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 122.772 1.273 . . . . 15.0 108.369 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -113.96 150.03 34.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 112.508 -2.133 . . . . 15.0 107.376 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.04 120.37 73.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 15.0 111.367 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 125.25 18.47 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.188 2.592 . . . . 15.0 112.154 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.676 -175.289 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 78.6 m95 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 108.953 -0.758 . . . . 15.0 108.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.819 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 43.9 m -90.01 105.74 18.01 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.953 -0.299 . . . . 15.0 111.197 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 54.9 tt0 -89.85 93.04 9.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.367 1.042 . . . . 15.0 108.48 169.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.477 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.5 ttt180 -102.24 126.65 49.29 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.019 -0.734 . . . . 15.0 109.019 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 24.8 ttmm -89.79 111.89 23.03 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.373 -176.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.5 p -89.64 149.65 22.71 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.381 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.91 -4.65 7.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.732 -0.667 . . . . 15.0 112.218 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.08 -6.54 53.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 15.0 109.944 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.79 27.91 20.31 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.677 -0.692 . . . . 15.0 111.538 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -132.21 120.36 22.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 15.0 111.622 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.542 ' HB ' ' HG3' ' A' ' 437' ' ' GLU . 13.2 p -89.9 106.8 18.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 15.0 109.606 172.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.557 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.1 p90 -96.15 124.99 40.37 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 119.982 -0.687 . . . . 15.0 110.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.894 ' HH ' ' HG2' ' A' ' 459' ' ' LYS . 1.8 m-85 -95.69 89.54 5.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.327 -0.619 . . . . 15.0 109.327 174.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.84 127.66 36.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.161 0.505 . . . . 15.0 109.966 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.425 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 46.8 t-20 -134.61 144.21 47.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 15.0 110.034 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -85.73 -2.34 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 15.0 109.597 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.425 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 33.2 mmt180 -59.66 -47.37 85.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.422 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 4.9 p -120.17 -1.62 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.555 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 61.35 24.91 14.95 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.54 0.686 . . . . 15.0 109.961 -171.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.423 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 52.1 mm-40 -108.87 148.54 30.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.96 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 51.0 p -113.66 116.17 29.03 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.233 -0.894 . . . . 15.0 109.362 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.686 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 76.8 p -100.49 124.38 45.95 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.794 -0.817 . . . . 15.0 108.794 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 34.0 m95 -104.04 11.14 35.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.415 1.102 . . . . 15.0 109.166 -173.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -120.0 143.4 48.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.254 -1.794 . . . . 15.0 107.383 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.894 ' HG2' ' HH ' ' A' ' 447' ' ' TYR . 64.9 mttm -59.92 113.7 7.93 Favored Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 117.944 0.338 . . . . 15.0 111.366 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.11 134.16 19.04 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.553 2.169 . . . . 15.0 111.919 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.23 0.538 . . . . 15.0 110.351 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.498 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 10.8 m95 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.8 m -90.11 107.29 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.379 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 7.8 pt-20 -96.43 93.26 6.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.542 0.687 . . . . 15.0 109.766 172.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.557 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 77.7 ttt180 -90.2 113.25 25.01 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.87 -0.789 . . . . 15.0 108.87 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.71 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 3.8 ttmp? -89.96 96.55 10.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.549 0.69 . . . . 15.0 109.696 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.8 p -89.72 146.46 24.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.96 -1.018 . . . . 15.0 111.101 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 443' ' ' GLY . . . -70.72 3.74 2.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.791 -0.641 . . . . 15.0 111.332 -177.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.38 3.51 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.64 0.733 . . . . 15.0 109.519 174.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 441' ' ' ALA . . . 83.53 17.97 65.08 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.558 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -137.33 126.82 25.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.912 0.387 . . . . 15.0 110.714 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.6 m -104.25 99.12 8.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.026 -0.731 . . . . 15.0 109.026 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 46.5 p90 -89.85 134.2 34.33 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 119.743 -0.783 . . . . 15.0 111.473 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 9.3 m-85 -101.12 94.0 5.76 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.439 174.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -88.81 119.0 28.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.912 0.863 . . . . 15.0 108.735 168.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.586 HD22 ' HG3' ' A' ' 451' ' ' ARG . 2.3 t-20 -108.11 142.36 38.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.107 -1.406 . . . . 15.0 112.272 -169.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -94.39 -8.54 38.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 15.0 110.739 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.586 ' HG3' HD22 ' A' ' 449' ' ' ASN . 2.1 mtm180 -60.28 -53.53 56.59 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.207 0.527 . . . . 15.0 110.37 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.487 ' HG1' ' CG ' ' A' ' 454' ' ' GLU . 2.7 p -119.98 0.18 10.73 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.351 -0.84 . . . . 15.0 111.971 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.7 mm? 70.67 31.97 2.67 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.386 0.612 . . . . 15.0 109.832 -176.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.487 ' CG ' ' HG1' ' A' ' 452' ' ' THR . 17.0 mm-40 -96.98 135.61 38.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.979 -1.01 . . . . 15.0 111.229 -174.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.0 t -96.23 101.89 13.6 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 t -116.92 136.75 52.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.448 0.642 . . . . 15.0 109.983 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 23.5 m95 -114.56 18.86 16.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.549 1.166 . . . . 15.0 108.565 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -114.13 145.54 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 112.949 -1.932 . . . . 15.0 107.846 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -73.19 110.83 9.51 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 111.796 0.295 . . . . 15.0 111.796 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.05 141.16 56.77 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.094 2.529 . . . . 15.0 113.565 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 115.443 -0.798 . . . . 15.0 111.666 177.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.479 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 67.8 m95 . . . . . 0 CA--C 1.516 -0.328 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 93.7 m -89.85 90.87 8.37 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.461 -0.57 . . . . 15.0 109.461 174.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.99 89.72 7.83 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.552 0.692 . . . . 15.0 109.351 173.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 32.7 ttt180 -93.09 113.83 26.19 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.46 ' HE3' ' HB3' ' A' ' 439' ' ' LYS . 5.3 ptpp? -89.71 97.85 11.43 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.754 0.788 . . . . 15.0 110.266 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.4 p -89.56 148.02 23.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.847 -1.07 . . . . 15.0 110.534 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.42 -2.79 9.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.815 -173.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -74.1 1.55 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.434 0.635 . . . . 15.0 109.888 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 28.72 21.05 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.627 -0.715 . . . . 15.0 112.62 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -150.07 128.91 12.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.168 0.508 . . . . 15.0 112.013 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 43.5 p -93.11 105.47 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.427 171.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.513 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 33.9 p90 -91.6 132.83 36.05 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 119.253 -0.979 . . . . 15.0 110.305 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 5.9 m-85 -104.48 97.76 7.64 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.922 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.99 123.1 33.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 15.0 109.332 167.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.947 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -102.14 141.81 34.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.899 -1.5 . . . . 15.0 112.033 -170.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -105.24 -3.92 22.29 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.964 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.947 ' HB2' HD22 ' A' ' 449' ' ' ASN . 93.7 mtt180 -62.0 -56.21 21.41 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.452 0.644 . . . . 15.0 110.214 175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.5 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.11 -0.07 10.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 15.0 111.026 -174.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 65.71 75.09 0.36 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.501 0.667 . . . . 15.0 109.434 -171.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.5 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 49.9 mt-10 -128.07 150.0 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.075 -0.966 . . . . 15.0 110.701 -173.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.1 t -114.36 110.14 19.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.332 -0.988 . . . . 15.0 108.332 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -131.9 132.39 43.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.814 0.816 . . . . 15.0 109.594 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.513 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -115.3 17.16 16.69 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.503 1.144 . . . . 15.0 109.015 -170.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -120.11 128.71 53.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.135 -1.848 . . . . 15.0 108.102 171.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.539 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 7.8 mtpm? -59.79 113.99 8.55 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.284 0.365 . . . . 15.0 111.9 -172.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -58.36 141.97 97.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.24 2.627 . . . . 15.0 112.428 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.972 178.158 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 16.2 m95 . . . . . 0 C--O 1.232 0.164 0 N-CA-C 110.087 -0.338 . . . . 15.0 110.087 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.61 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.6 m -90.67 102.51 15.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.356 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.7 pt-20 -90.08 98.87 12.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.733 0.778 . . . . 15.0 109.305 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -123.74 130.91 53.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.943 -1.026 . . . . 15.0 109.287 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -97.65 120.55 38.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.171 0.51 . . . . 15.0 110.508 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 442' ' ' ASP . 38.2 p -89.44 150.21 22.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.306 -0.861 . . . . 15.0 109.536 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.53 7.17 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.2 t70 -86.06 -9.26 57.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.537 0.684 . . . . 15.0 109.498 173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 42.49 5.25 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.481 -0.781 . . . . 15.0 112.243 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -139.81 128.53 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.742 0.306 . . . . 15.0 111.369 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.1 m -94.28 94.67 8.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.537 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 18.2 p90 -90.55 140.47 29.72 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.78 -0.768 . . . . 15.0 110.627 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.61 ' HA ' ' O ' ' A' ' 436' ' ' THR . 10.7 m-85 -105.42 101.14 10.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.45 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.71 121.24 30.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.324 1.059 . . . . 15.0 109.291 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.032 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -101.31 134.39 44.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.124 -1.853 . . . . 15.0 111.528 -174.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -100.97 -0.93 35.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.761 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.032 ' HB2' HD22 ' A' ' 449' ' ' ASN . 5.8 mmp_? -64.08 -53.1 54.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.411 0.624 . . . . 15.0 110.056 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.723 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.4 m -120.1 0.28 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.835 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 72.16 29.18 2.33 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.622 0.725 . . . . 15.0 109.197 -174.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.723 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 mm-40 -90.44 119.5 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.776 -1.102 . . . . 15.0 110.854 -174.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 106.56 18.56 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.376 -0.972 . . . . 15.0 108.376 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -120.31 134.04 55.34 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.576 0.703 . . . . 15.0 109.702 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.537 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 25.2 m95 -114.25 14.69 18.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 122.247 1.023 . . . . 15.0 109.556 -169.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 138.62 45.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.823 -1.535 . . . . 15.0 107.643 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.74 113.13 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.191 0.441 . . . . 15.0 112.191 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.15 128.31 8.95 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.762 2.308 . . . . 15.0 111.729 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 15.0 110.609 -176.183 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HZ2' ' NH1' ' A' ' 451' ' ' ARG . 57.4 m95 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 108.392 -0.966 . . . . 15.0 108.392 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.727 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 48.6 m -89.58 105.34 17.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.563 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 7.2 pt-20 -89.91 89.95 7.96 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 122.006 0.908 . . . . 15.0 108.632 170.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -92.65 118.94 31.57 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.364 -0.976 . . . . 15.0 108.364 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.565 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -90.06 111.2 22.23 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.994 0.902 . . . . 15.0 109.779 -175.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.2 p -89.62 147.56 23.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.463 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.18 -13.17 57.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.43 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.99 -3.25 38.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.383 0.611 . . . . 15.0 110.222 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 33.2 9.11 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.604 -0.726 . . . . 15.0 112.333 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -126.88 111.28 13.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.905 0.383 . . . . 15.0 111.527 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 p -90.1 92.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.819 -0.628 . . . . 15.0 109.533 170.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 14.3 p90 -96.76 130.04 44.08 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.421 -0.512 . . . . 15.0 110.492 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.727 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -94.08 89.62 6.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.08 122.04 32.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.443 0.639 . . . . 15.0 109.37 170.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.541 ' OD1' ' HB2' ' A' ' 451' ' ' ARG . 2.3 t-20 -127.49 150.09 49.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.991 -1.004 . . . . 15.0 112.044 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -96.72 -2.55 44.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.693 -1.14 . . . . 15.0 111.524 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.541 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 73.9 mtp180 -70.17 -46.57 64.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 15.0 110.589 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.5 p -120.08 -0.03 10.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.293 0.479 . . . . 15.0 112.293 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 62.41 38.33 12.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.329 0.585 . . . . 15.0 110.491 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -118.58 150.03 40.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.507 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 10.9 p -111.23 115.37 29.25 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.803 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.656 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 41.2 p -101.17 116.03 31.88 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.392 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 35.8 m95 -95.51 9.56 39.67 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.966 0.889 . . . . 15.0 109.809 -174.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -119.74 148.12 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 113.966 -1.47 . . . . 15.0 107.499 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.736 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -67.03 116.08 32.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 117.763 0.256 . . . . 15.0 111.482 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -68.38 113.43 3.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.45 2.1 . . . . 15.0 111.322 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.331 -176.192 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.527 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 32.4 m95 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 108.957 -0.757 . . . . 15.0 108.957 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.5 m -89.74 97.16 11.03 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -90.23 90.42 8.08 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.913 -0.773 . . . . 15.0 108.913 173.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.596 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 28.0 ttt180 -116.11 122.26 44.58 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.771 -0.65 . . . . 15.0 109.813 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.849 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.63 118.56 29.34 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.625 179.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.7 p -89.74 150.1 22.45 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.45 -0.795 . . . . 15.0 110.094 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.83 -0.74 2.38 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.415 0.524 . . . . 15.0 112.415 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.549 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 21.0 t70 -88.39 -4.61 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.585 0.707 . . . . 15.0 109.802 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 30.92 11.7 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.604 -0.725 . . . . 15.0 111.842 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.549 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.2 mttm -119.36 115.1 23.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 15.0 110.82 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.8 p -90.04 94.24 9.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 170.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 34.4 p90 -89.85 141.86 28.24 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 119.878 -0.729 . . . . 15.0 110.013 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.63 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.1 m-85 -111.25 101.58 10.06 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -89.06 113.0 24.08 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.921 0.867 . . . . 15.0 109.007 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.009 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -90.07 134.22 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.019 -1.446 . . . . 15.0 112.067 -173.122 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -6.25 28.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.705 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.009 ' HB2' HD22 ' A' ' 449' ' ' ASN . 34.4 mmt180 -65.7 -54.13 31.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.102 0.477 . . . . 15.0 110.428 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.834 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.25 0.3 10.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.225 -177.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.3 mm? 72.69 40.69 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.476 0.655 . . . . 15.0 109.55 -175.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.834 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -99.73 125.88 45.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.108 -0.951 . . . . 15.0 110.661 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 t -92.18 111.6 23.22 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -132.14 130.75 41.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.651 0.739 . . . . 15.0 109.775 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.596 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.4 m95 -111.16 20.01 17.82 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.375 1.083 . . . . 15.0 109.3 -170.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -112.77 145.43 40.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 113.224 -1.807 . . . . 15.0 107.465 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.21 113.69 19.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 121.129 -0.229 . . . . 15.0 111.18 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.37 130.68 32.9 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.06 2.506 . . . . 15.0 112.448 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.781 -0.645 . . . . 15.0 110.506 179.09 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.656 -0.498 . . . . 15.0 109.656 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.2 m -89.53 100.62 13.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.398 -0.365 . . . . 15.0 110.273 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.3 pt-20 -90.0 90.28 8.07 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.291 171.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.68 ' HD2' ' HH ' ' A' ' 446' ' ' TYR . 39.3 ttm180 -100.39 121.19 41.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -89.83 105.96 18.15 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.874 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 442' ' ' ASP . 69.9 p -89.75 138.54 31.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.97 176.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.2 10.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.0 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 440' ' ' THR . 38.7 t70 -86.95 -1.88 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.549 0.69 . . . . 15.0 109.362 174.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.12 32.82 10.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.305 -0.861 . . . . 15.0 112.334 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -146.98 126.33 13.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.553 0.692 . . . . 15.0 111.429 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -97.75 113.96 25.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.719 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.68 ' HH ' ' HD2' ' A' ' 438' ' ' ARG . 31.8 p90 -98.35 135.13 40.39 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.332 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 436' ' ' THR . 51.5 m-85 -101.57 93.94 5.62 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.659 172.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -89.21 123.07 33.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.684 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.575 HD22 ' HB2' ' A' ' 451' ' ' ARG . 6.1 t-20 -109.35 142.89 39.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.675 -1.148 . . . . 15.0 112.595 -172.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -101.55 -4.67 26.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.729 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.575 ' HB2' HD22 ' A' ' 449' ' ' ASN . 87.2 mtt180 -64.71 -54.85 25.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.179 0.514 . . . . 15.0 111.02 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.3 t -120.51 0.42 10.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.905 -0.588 . . . . 15.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 67.39 69.78 0.37 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.736 0.779 . . . . 15.0 110.039 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.03 132.25 38.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.719 -1.128 . . . . 15.0 110.856 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.426 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 11.6 p -97.8 111.13 23.54 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 171.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 t -122.67 128.23 50.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.395 0.616 . . . . 15.0 109.518 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.672 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 27.6 m95 -112.09 2.37 16.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.898 0.856 . . . . 15.0 110.047 -170.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.89 132.72 46.16 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.359 -1.291 . . . . 15.0 107.959 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.57 119.8 46.87 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.37 118.51 5.39 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.64 2.227 . . . . 15.0 111.785 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.699 -175.037 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 41.0 m95 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.3 m -91.32 100.93 13.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.499 176.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.583 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -92.73 90.14 6.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.909 0.862 . . . . 15.0 109.317 170.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.439 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 73.9 ttt180 -90.37 126.85 36.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.512 -0.767 . . . . 15.0 110.066 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -89.75 105.69 17.97 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.393 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 57.6 p -89.52 143.93 26.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.069 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.07 28.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.988 0.423 . . . . 15.0 111.124 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.0 -5.93 29.86 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.36 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.56 35.93 9.03 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.894 -0.594 . . . . 15.0 112.404 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -142.06 125.09 16.23 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.912 0.387 . . . . 15.0 111.536 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 15.0 109.705 170.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.496 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.4 p90 -96.65 130.88 43.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.344 -0.942 . . . . 15.0 110.16 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 5.4 m-85 -95.94 101.94 13.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.069 175.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.91 114.74 25.86 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 122.086 0.946 . . . . 15.0 108.961 168.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.043 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.2 t-20 -90.39 130.41 36.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.667 -1.606 . . . . 15.0 111.669 -173.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -98.86 -1.91 39.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.043 ' HB2' HD22 ' A' ' 449' ' ' ASN . 30.6 mmt180 -71.27 -50.78 29.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.761 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.962 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.7 OUTLIER -120.08 0.09 10.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 15.0 111.202 -179.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.3 mm? 72.89 35.07 1.04 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.586 0.708 . . . . 15.0 109.608 -174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.962 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 41.6 mt-10 -91.55 141.93 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.119 -0.946 . . . . 15.0 111.049 -174.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 25.1 p -93.97 113.24 25.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 p -120.0 117.3 27.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 15.0 110.628 -173.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 32.6 m95 -116.25 5.26 13.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.822 0.82 . . . . 15.0 110.106 -174.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -109.88 133.84 52.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.655 -1.239 . . . . 15.0 107.655 165.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.547 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 8.6 mtpm? -60.25 117.76 27.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 112.254 0.465 . . . . 15.0 112.254 -170.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -59.17 140.44 94.94 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.152 2.568 . . . . 15.0 112.839 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.519 0.676 . . . . 15.0 109.469 176.163 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 67.2 m95 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.0 m -89.89 92.98 9.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.769 0.318 . . . . 15.0 110.401 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.6 pt-20 -89.72 92.39 9.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.255 -0.646 . . . . 15.0 109.255 169.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.541 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.1 ttm180 -97.57 116.04 29.02 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.84 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -90.05 101.79 14.5 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 444' ' ' LYS . 2.1 t -89.68 146.96 24.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.477 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.39 -3.37 8.11 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.516 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -73.07 -6.05 43.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.752 0.787 . . . . 15.0 109.573 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.7 25.8 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.368 -0.833 . . . . 15.0 112.747 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 440' ' ' THR . 60.0 mttp -127.13 125.6 41.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.671 -0.412 . . . . 15.0 111.265 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.85 90.09 4.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.541 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 38.9 p90 -90.46 139.05 31.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.456 0.646 . . . . 15.0 110.774 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 16.9 m-85 -103.36 98.27 8.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.835 -1.075 . . . . 15.0 109.785 176.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.89 120.24 30.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.038 0.923 . . . . 15.0 109.426 169.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.052 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -93.03 136.9 32.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.012 -1.449 . . . . 15.0 111.94 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.03 -5.38 24.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.947 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.052 ' HB2' HD22 ' A' ' 449' ' ' ASN . 54.9 mtp180 -73.68 -48.66 30.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.072 0.397 . . . . 15.0 112.072 -177.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.45 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.32 -0.13 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 15.0 110.956 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 mm? 65.66 71.62 0.42 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.454 0.645 . . . . 15.0 109.446 -171.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.45 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 43.2 mt-10 -133.4 136.05 45.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 15.0 110.33 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.436 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 8.4 p -93.07 115.21 27.89 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.377 -0.601 . . . . 15.0 109.377 171.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 4.8 t -127.71 128.66 45.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.665 0.745 . . . . 15.0 109.983 -176.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.1 m95 -114.6 16.23 17.6 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.183 0.992 . . . . 15.0 109.345 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -119.82 129.83 54.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.792 -1.549 . . . . 15.0 108.246 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -60.34 123.79 74.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.719 0.637 . . . . 15.0 112.719 -170.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.88 123.47 12.32 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.762 2.308 . . . . 15.0 111.891 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 15.0 111.975 -174.277 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 96.9 m95 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.665 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.0 m -89.59 97.75 11.38 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 109.617 -0.512 . . . . 15.0 109.617 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.88 91.96 8.82 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 107.31 -1.367 . . . . 15.0 107.31 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 446' ' ' TYR . 26.9 ttt180 -105.09 105.9 16.16 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.221 -1.029 . . . . 15.0 108.221 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 27.9 ttmt -90.09 101.43 14.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.107 -0.951 . . . . 15.0 110.666 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.6 p -89.7 135.59 33.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.595 -0.729 . . . . 15.0 110.895 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.38 14.68 0.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 15.0 112.377 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.87 4.04 31.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 15.0 109.183 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.28 8.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.284 -0.871 . . . . 15.0 112.044 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 128.37 12.19 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.973 0.416 . . . . 15.0 111.289 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -104.13 130.02 51.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.236 -0.653 . . . . 15.0 109.236 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 27.4 p90 -121.59 134.67 55.01 Favored 'General case' 0 CA--C 1.502 -0.865 0 C-N-CA 120.066 -0.653 . . . . 15.0 111.358 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.665 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.9 m-85 -108.53 89.6 3.04 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.87 176.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.437 ' O ' ' HB ' ' A' ' 436' ' ' THR . 20.1 t80 -89.53 129.83 35.94 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.675 0.75 . . . . 15.0 112.062 170.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.503 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 52.0 t-20 -140.19 149.56 43.1 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.841 -1.072 . . . . 15.0 108.832 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.535 ' HA ' HD23 ' A' ' 453' ' ' LEU . 16.2 m120 -87.42 -1.33 57.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.314 0.578 . . . . 15.0 109.462 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -67.11 -31.81 72.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.832 171.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.2 p -120.14 -16.2 8.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.794 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mm? 60.42 29.13 18.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.523 0.678 . . . . 15.0 110.012 -167.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.02 133.36 55.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.079 -0.964 . . . . 15.0 111.156 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -89.77 111.36 22.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.775 -1.195 . . . . 15.0 107.775 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.595 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 27.9 p -93.07 124.09 36.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.33 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.545 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -107.21 0.88 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.044 0.926 . . . . 15.0 109.073 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.39 133.18 53.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.633 -1.617 . . . . 15.0 106.633 163.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.715 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -63.85 122.83 79.25 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 112.703 0.631 . . . . 15.0 112.703 -169.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.08 135.57 59.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.144 2.563 . . . . 15.0 111.388 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.583 -172.635 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 37.9 m95 . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.339 -0.615 . . . . 15.0 109.339 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.8 m -89.79 97.36 11.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.24 97.23 11.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.311 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.542 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.4 ttt180 -128.19 115.36 18.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.394 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -91.67 114.77 27.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.682 0.753 . . . . 15.0 111.266 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.9 p -89.67 140.63 29.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.436 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.37 6.5 0.77 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.108 0.781 . . . . 15.0 113.108 -171.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.73 -4.48 49.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.626 0.727 . . . . 15.0 109.955 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 24.84 28.12 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.569 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.813 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 5.1 ptpp? -135.82 134.45 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.113 0.483 . . . . 15.0 110.091 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.6 m -113.3 114.31 26.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.972 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.768 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 22.5 p90 -97.23 124.99 41.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 119.914 -0.714 . . . . 15.0 111.003 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.825 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 37.0 m-85 -98.64 94.49 6.68 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.128 -0.942 . . . . 15.0 108.873 170.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -88.91 121.5 31.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.011 0.91 . . . . 15.0 110.311 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.604 HD22 ' HB2' ' A' ' 451' ' ' ARG . 5.1 t-20 -106.75 142.05 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.093 -1.412 . . . . 15.0 112.329 -173.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -102.95 -3.68 25.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.782 -0.644 . . . . 15.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.604 ' HB2' HD22 ' A' ' 449' ' ' ASN . 24.1 mmm180 -67.91 -55.7 11.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.907 0.384 . . . . 15.0 111.296 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.839 HG21 ' HG3' ' A' ' 454' ' ' GLU . 6.0 t -120.11 0.5 10.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.2 mm? 69.16 71.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.43 0.634 . . . . 15.0 110.691 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.839 ' HG3' HG21 ' A' ' 452' ' ' THR . 24.7 mt-10 -136.0 141.45 44.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.283 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.639 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 52.6 p -100.38 109.4 21.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.595 -0.891 . . . . 15.0 108.595 168.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.825 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 25.4 p -101.7 111.1 23.24 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.974 -176.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.813 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 35.8 m95 -100.0 -7.31 25.24 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.192 0.996 . . . . 15.0 108.401 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -102.48 134.11 46.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.545 -1.661 . . . . 15.0 106.671 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -59.98 123.62 73.08 Favored Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -54.83 123.33 13.48 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.666 2.244 . . . . 15.0 110.867 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.434 -0.348 . . . . 15.0 111.869 -173.331 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.473 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 57.7 m95 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.371 -0.603 . . . . 15.0 109.371 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.0 m -90.51 100.74 13.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.88 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -90.04 94.06 9.64 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.583 -0.895 . . . . 15.0 108.583 169.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.443 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 35.7 ttt180 -105.0 118.13 35.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.424 ' HZ3' ' HB3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.92 108.51 19.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.555 -0.748 . . . . 15.0 109.96 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.577 ' OG1' ' HG3' ' A' ' 444' ' ' LYS . 35.2 p -89.71 149.96 22.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.88 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.33 40.23 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.396 0.888 . . . . 15.0 113.396 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.06 -11.97 45.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.48 0.657 . . . . 15.0 110.734 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.22 24.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.974 -0.632 . . . . 15.0 111.547 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.7 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.6 ptpp? -120.95 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.358 0.599 . . . . 15.0 110.663 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 113.58 25.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.171 174.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 29.7 p90 -105.52 139.09 40.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.727 -0.789 . . . . 15.0 110.551 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 436' ' ' THR . 41.2 m-85 -105.4 103.54 13.09 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.029 -0.987 . . . . 15.0 109.578 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.75 118.15 28.24 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 122.071 0.939 . . . . 15.0 109.59 169.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.035 HD22 ' HB2' ' A' ' 451' ' ' ARG . 4.3 t-20 -92.88 131.47 37.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.951 -1.477 . . . . 15.0 111.314 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.96 -2.26 27.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.651 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.035 ' HB2' HD22 ' A' ' 449' ' ' ASN . 18.1 mmt180 -66.13 -52.28 50.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.866 0.365 . . . . 15.0 111.176 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.494 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.8 OUTLIER -120.11 0.05 10.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.63 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.1 mm? 67.11 74.99 0.32 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.765 0.793 . . . . 15.0 109.579 -168.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 32.7 mt-10 -132.62 125.49 30.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.885 -1.052 . . . . 15.0 110.183 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 t -89.86 112.75 24.19 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.095 -1.076 . . . . 15.0 108.095 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.3 t -129.38 125.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.92 0.867 . . . . 15.0 109.939 -173.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.7 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 28.1 m95 -114.88 20.14 15.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.353 1.073 . . . . 15.0 109.522 -168.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.03 146.15 41.55 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.531 -1.668 . . . . 15.0 107.919 167.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.52 ' HZ2' ' HB3' ' A' ' 459' ' ' LYS . 8.4 mtpm? -69.72 120.92 80.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.842 0.354 . . . . 15.0 111.446 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -45.43 133.19 12.57 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.154 3.236 . . . . 15.0 113.694 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.791 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.2 m95 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 108.856 -0.794 . . . . 15.0 108.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.729 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 53.3 m -89.91 100.64 13.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 15.0 111.481 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.74 93.51 9.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.073 -0.967 . . . . 15.0 108.496 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -110.78 113.03 25.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -91.97 108.04 19.64 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.407 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.3 p -89.69 144.3 26.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.894 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.39 9.68 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.227 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.39 0.4 25.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 15.0 109.626 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.35 24.08 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.885 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.623 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.4 ptpp? -150.07 133.98 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.003 0.43 . . . . 15.0 111.056 -175.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -105.39 117.74 34.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.678 176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.607 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 16.6 p90 -105.31 126.71 52.41 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.977 -0.689 . . . . 15.0 110.855 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.729 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -98.56 89.75 4.51 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.001 -1.0 . . . . 15.0 108.744 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.538 ' O ' ' HB ' ' A' ' 436' ' ' THR . 8.3 t80 -89.09 123.03 33.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.768 0.794 . . . . 15.0 109.811 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.794 HD22 ' HB2' ' A' ' 451' ' ' ARG . 2.4 t-20 -119.88 139.82 51.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.546 -1.206 . . . . 15.0 112.101 -172.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.408 ' HA ' HD23 ' A' ' 453' ' ' LEU . 3.8 t30 -91.72 -12.75 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.062 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.794 ' HB2' HD22 ' A' ' 449' ' ' ASN . 14.5 mmt180 -60.03 -48.04 83.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.677 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.422 HG21 ' HB2' ' A' ' 454' ' ' GLU . 5.3 t -120.27 0.1 10.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.746 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.9 mm? 65.36 35.53 7.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.149 0.499 . . . . 15.0 111.062 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.422 ' HB2' HG21 ' A' ' 452' ' ' THR . 12.8 mt-10 -102.69 134.1 46.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.069 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.782 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 2.7 p -93.35 102.27 14.52 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.26 -0.882 . . . . 15.0 108.781 168.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.521 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 29.4 p -99.53 121.74 41.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.844 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.782 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 43.1 m95 -108.08 -0.32 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.856 0.836 . . . . 15.0 109.53 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.98 136.66 49.65 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.012 -1.477 . . . . 15.0 107.012 163.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -59.93 123.15 70.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.252 0.345 . . . . 15.0 111.473 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -45.5 137.0 11.73 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.721 2.948 . . . . 15.0 112.961 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.041 0.448 . . . . 15.0 110.422 -177.344 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.425 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 57.8 m95 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.9 m -89.93 105.34 17.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 15.0 111.302 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.647 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 3.9 pt-20 -89.86 90.04 8.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.581 0.705 . . . . 15.0 109.864 171.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.406 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -93.91 108.17 19.99 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.565 -0.902 . . . . 15.0 108.565 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.639 ' HB3' HG23 ' A' ' 445' ' ' THR . 7.9 ptpp? -89.92 104.1 16.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.86 0.838 . . . . 15.0 110.608 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 442' ' ' ASP . 73.7 p -89.42 150.24 22.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.537 -1.211 . . . . 15.0 110.326 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.08 12.1 0.6 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.421 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 440' ' ' THR . 26.2 t70 -79.0 -4.71 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 173.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.81 9.49 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.985 -1.007 . . . . 15.0 111.943 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -144.11 120.81 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 15.0 111.859 -175.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 439' ' ' LYS . 20.4 p -89.84 93.5 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.485 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.592 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 19.6 p90 -96.27 133.16 40.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.762 -0.775 . . . . 15.0 111.138 -176.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.73 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 5.0 m-85 -102.81 95.96 6.53 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.787 -1.097 . . . . 15.0 109.628 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -89.06 127.72 35.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.771 0.796 . . . . 15.0 109.308 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.525 HD22 ' CG ' ' A' ' 451' ' ' ARG . 2.4 t-20 -121.9 140.59 52.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.225 -1.352 . . . . 15.0 111.794 -170.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -93.6 -8.53 40.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.724 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.525 ' CG ' HD22 ' A' ' 449' ' ' ASN . 20.1 mmm180 -60.94 -50.54 72.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.895 0.379 . . . . 15.0 110.687 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -120.06 0.06 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.03 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 65.95 34.06 7.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.48 0.657 . . . . 15.0 109.738 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.26 135.42 47.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.699 -1.137 . . . . 15.0 110.921 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.514 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 50.5 p -99.26 110.7 23.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.406 -0.59 . . . . 15.0 109.406 172.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.73 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 37.0 p -99.81 112.82 25.05 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.687 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.592 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 41.8 m95 -98.29 6.15 47.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.572 1.177 . . . . 15.0 108.508 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.5 132.58 55.63 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 112.988 -1.914 . . . . 15.0 106.996 161.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -63.77 116.72 28.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 111.858 0.318 . . . . 15.0 111.858 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.67 125.85 18.95 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.873 2.382 . . . . 15.0 112.41 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 15.0 112.06 -175.042 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 45.4 m95 . . . . . 0 C--O 1.231 0.108 0 N-CA-C 109.848 -0.427 . . . . 15.0 109.848 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.695 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 63.1 m -92.0 103.97 16.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.647 -0.251 . . . . 15.0 110.483 176.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -91.78 89.93 7.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.785 0.802 . . . . 15.0 109.035 174.342 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -102.41 120.87 41.24 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.154 -0.618 . . . . 15.0 110.399 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.497 ' HD2' ' C ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.06 108.27 19.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.353 -0.84 . . . . 15.0 108.755 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.0 p -89.63 150.0 22.57 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.844 -0.617 . . . . 15.0 110.638 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.58 40.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.791 -0.64 . . . . 15.0 112.082 -173.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.87 -7.68 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.504 0.668 . . . . 15.0 109.639 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 32.94 9.21 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.592 -0.731 . . . . 15.0 112.092 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -122.03 115.06 21.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.327 -0.249 . . . . 15.0 110.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 95.58 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.884 -0.784 . . . . 15.0 108.884 170.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.7 p90 -101.03 135.46 42.45 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.548 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.2 m-85 -101.01 99.49 9.95 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.711 -1.131 . . . . 15.0 109.288 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -89.09 118.64 28.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.669 0.747 . . . . 15.0 109.848 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.914 HD22 ' HB2' ' A' ' 451' ' ' ARG . 2.9 t-20 -90.05 137.41 32.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.328 -1.305 . . . . 15.0 112.304 -173.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.94 -0.09 27.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.813 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.914 ' HB2' HD22 ' A' ' 449' ' ' ASN . 4.7 mtm-85 -68.83 -61.36 1.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.416 0.627 . . . . 15.0 110.783 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.834 . . . . 15.0 110.958 -173.075 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.9 mm? 71.2 74.95 0.18 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.51 -172.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 38.0 mt-10 -133.9 128.3 34.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 15.0 110.088 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.1 t -93.49 110.42 22.0 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.016 -0.735 . . . . 15.0 109.016 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.0 p -116.49 113.56 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 15.0 110.421 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 27.4 m95 -107.06 8.85 30.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.364 1.078 . . . . 15.0 109.36 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.94 150.12 25.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.109 -1.86 . . . . 15.0 107.836 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -71.35 115.2 34.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.13 130.55 24.48 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.503 2.136 . . . . 15.0 111.698 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.512 0.672 . . . . 15.0 110.051 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.514 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 54.8 m95 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.015 -0.365 . . . . 15.0 110.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.7 m -89.94 96.68 10.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.431 -0.349 . . . . 15.0 110.341 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -90.39 91.55 8.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.482 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.1 ttt180 -122.29 116.38 23.99 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 -177.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 120.22 39.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.909 0.861 . . . . 15.0 110.568 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.3 p -89.61 139.27 30.71 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.224 -0.898 . . . . 15.0 109.899 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.47 2.65 2.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.142 0.496 . . . . 15.0 111.301 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.54 -7.61 45.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.495 0.664 . . . . 15.0 110.023 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 29.87 13.4 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.479 -0.782 . . . . 15.0 112.5 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.766 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.5 ptpp? -144.19 127.45 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 15.0 111.001 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.2 m -96.39 128.83 43.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.796 -0.638 . . . . 15.0 109.826 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 20.7 p90 -119.54 136.87 54.16 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.048 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -107.1 98.66 8.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 114.892 -1.049 . . . . 15.0 109.341 173.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.23 118.26 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.132 0.967 . . . . 15.0 109.994 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 1.059 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -96.7 133.85 40.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.044 -1.435 . . . . 15.0 112.157 -172.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -97.95 -3.76 37.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.812 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.059 ' HB2' HD22 ' A' ' 449' ' ' ASN . 31.7 mtp180 -70.86 -50.24 37.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.745 0.307 . . . . 15.0 111.511 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 1.022 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 1.5 m -120.19 0.0 10.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.524 -0.307 . . . . 15.0 110.846 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.5 mm? 73.36 35.99 0.85 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.53 0.681 . . . . 15.0 109.522 -172.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 1.022 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.0 mt-10 -93.39 124.59 37.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.947 . . . . 15.0 110.84 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.0 t -90.63 114.52 26.81 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 t -127.69 125.0 39.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.59 0.71 . . . . 15.0 109.847 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.766 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 24.3 m95 -109.63 11.32 24.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.329 1.062 . . . . 15.0 109.207 -171.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -111.68 135.4 52.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.507 164.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -61.13 121.55 63.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 111.888 0.329 . . . . 15.0 111.888 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.17 124.96 11.09 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.636 2.89 . . . . 15.0 112.863 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.124 -172.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.786 0.327 . . . . 15.0 110.559 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.06 -7.92 59.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 15.0 111.56 -168.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.714 ' HD1' ' HG ' ' A' ' 463' ' ' LEU . 43.9 m95 -90.02 134.07 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.413 -0.588 . . . . 15.0 109.413 -177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.7 m -89.74 104.42 16.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 15.0 110.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.8 pt-20 -90.12 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.738 -1.119 . . . . 15.0 109.239 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.55 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.5 ttt180 -115.04 113.47 24.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.417 -0.81 . . . . 15.0 109.662 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -89.71 98.61 11.87 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.906 0.86 . . . . 15.0 110.113 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 37.2 p -89.94 147.18 23.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.78 -1.1 . . . . 15.0 111.903 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.29 -1.32 2.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.107 -0.952 . . . . 15.0 111.427 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.77 -10.4 36.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 15.0 109.697 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.48 27.06 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.334 -0.848 . . . . 15.0 111.839 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -145.93 138.24 25.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 15.0 110.793 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 104.82 16.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.676 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 3.3 p90 -97.13 141.46 30.24 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.488 -0.885 . . . . 15.0 111.197 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.689 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 2.3 m-85 -109.44 89.71 3.08 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.12 -0.946 . . . . 15.0 108.663 170.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -90.01 134.65 34.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.169 0.509 . . . . 15.0 111.567 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.414 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t-20 -138.77 146.98 42.05 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.137 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.07 2.35 54.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.172 -0.922 . . . . 15.0 108.95 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.56 -50.28 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.14 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.3 p -120.36 0.27 10.54 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.118 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.9 mm? 66.26 27.21 10.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.397 0.617 . . . . 15.0 109.628 -170.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.417 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 45.0 mt-10 -103.87 149.76 24.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.589 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.6 p -116.73 113.88 23.22 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.566 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.689 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 43.3 p -94.29 106.92 18.89 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.977 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.676 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 28.4 m95 -91.44 1.19 57.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.081 0.943 . . . . 15.0 108.807 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -112.45 137.98 49.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 113.979 -1.464 . . . . 15.0 107.763 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.45 114.96 32.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -171.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.6 151.84 70.03 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.961 2.441 . . . . 15.0 112.64 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -86.2 -30.95 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.114 -0.493 . . . . 15.0 110.407 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.91 17.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.974 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.714 ' HG ' ' HD1' ' A' ' 435' ' ' TRP . 9.8 tt -68.02 -32.55 73.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.274 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.61 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.19 -0.909 . . . . 15.0 110.655 -176.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 110.123 -0.325 . . . . 15.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.545 ' HA ' ' OD1' ' A' ' 450' ' ' ASN . 8.6 mm-40 -80.19 -20.75 44.02 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.204 0.526 . . . . 15.0 110.094 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.494 ' CD1' HD12 ' A' ' 463' ' ' LEU . 55.3 m95 -124.33 110.3 14.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.033 175.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.671 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 83.2 m -89.85 98.54 11.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.849 -0.34 . . . . 15.0 110.357 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.35 90.21 7.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.552 -0.907 . . . . 15.0 108.552 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.547 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -105.96 115.89 31.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.466 0.651 . . . . 15.0 109.927 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.49 ' HB3' HG23 ' A' ' 445' ' ' THR . 2.9 ptpt -91.15 109.07 20.32 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.552 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 61.6 p -89.64 150.15 22.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.652 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.8 21.28 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.55 -3.88 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 15.0 109.795 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.1 26.74 27.82 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.508 -0.769 . . . . 15.0 112.009 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -128.34 118.67 23.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.178 0.513 . . . . 15.0 111.445 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 439' ' ' LYS . 9.6 p -92.07 99.8 12.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.353 -0.839 . . . . 15.0 110.026 173.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.547 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 39.2 p90 -92.82 137.14 32.62 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.856 -0.738 . . . . 15.0 110.204 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 436' ' ' THR . 11.5 m-85 -105.93 97.91 7.66 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.732 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -89.08 120.73 30.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.098 0.951 . . . . 15.0 109.377 170.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.867 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -108.0 137.69 45.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.559 -173.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.545 ' OD1' ' HA ' ' A' ' 434' ' ' GLU . 30.9 p-10 -95.35 -12.24 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 15.0 111.317 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.867 ' HB2' HD22 ' A' ' 449' ' ' ASN . 21.2 mmm180 -62.51 -47.23 84.85 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.165 0.507 . . . . 15.0 110.609 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 1.008 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.6 OUTLIER -120.38 0.44 10.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.019 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.0 mm? 67.16 31.65 6.6 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.451 0.643 . . . . 15.0 109.978 -173.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 1.008 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -92.56 125.2 37.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.913 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 t -92.35 104.46 16.8 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.792 -1.188 . . . . 15.0 107.792 170.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -120.16 131.27 54.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.594 0.712 . . . . 15.0 109.973 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.487 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 24.2 m95 -113.47 15.22 19.11 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 122.357 1.075 . . . . 15.0 108.718 -170.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.95 132.75 53.77 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.3 -1.773 . . . . 15.0 108.361 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -66.8 115.21 22.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 123.393 0.433 . . . . 15.0 112.048 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.94 132.52 52.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.588 2.859 . . . . 15.0 112.812 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -98.19 -8.55 27.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.965 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.07 -3.12 58.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.263 0.554 . . . . 15.0 109.909 173.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 435' ' ' TRP . 52.4 tp -94.48 -2.47 51.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.541 174.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.58 -0.736 . . . . 15.0 109.378 178.585 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.634 0.254 . . . . 15.0 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.59 ' HG3' HD22 ' A' ' 449' ' ' ASN . 12.7 tp10 -71.91 -48.92 42.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 15.0 111.363 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -91.2 150.22 21.45 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.841 -174.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.7 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 40.5 m -89.71 103.68 16.31 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.378 -0.529 . . . . 15.0 109.99 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.622 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -89.76 89.71 7.89 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.965 0.888 . . . . 15.0 108.723 173.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.465 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 75.3 ttt180 -95.79 112.61 24.29 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.297 -0.865 . . . . 15.0 109.801 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.845 ' HD2' ' H ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.62 107.13 18.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.129 -0.942 . . . . 15.0 109.775 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.7 p -89.5 147.46 23.97 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.37 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.86 -14.42 45.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.17 -173.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -5.25 35.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.266 0.555 . . . . 15.0 110.698 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 21.99 36.9 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.614 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -113.59 111.34 21.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.805 0.336 . . . . 15.0 110.602 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 p -95.62 115.42 27.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.15 173.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 23.8 p90 -121.93 140.33 52.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.145 -0.622 . . . . 15.0 110.669 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.6 m-85 -105.26 89.68 3.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.442 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.457 ' O ' ' HB ' ' A' ' 436' ' ' THR . 13.7 t80 -89.72 132.19 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.036 0.446 . . . . 15.0 110.699 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.59 HD22 ' HG3' ' A' ' 434' ' ' GLU . 38.0 t-20 -141.4 148.67 39.98 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.039 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.511 ' HA ' HD23 ' A' ' 453' ' ' LEU . 11.5 m120 -87.22 3.27 47.24 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.282 -176.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.574 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 8.7 mmp_? -59.56 -52.96 63.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.076 -0.965 . . . . 15.0 110.192 173.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.812 HG22 ' HB2' ' A' ' 454' ' ' GLU . 2.6 t -120.49 0.42 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.161 176.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.2 mm? 65.36 30.99 10.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.321 0.581 . . . . 15.0 110.395 -175.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.812 ' HB2' HG22 ' A' ' 452' ' ' THR . 6.3 mm-40 -117.29 147.11 42.87 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.211 -0.904 . . . . 15.0 110.394 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.4 p -110.09 115.98 30.74 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.821 -0.627 . . . . 15.0 109.801 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.688 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 41.1 p -95.44 110.5 22.54 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.45 -0.795 . . . . 15.0 109.565 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 33.8 m95 -93.51 -1.04 56.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.849 0.833 . . . . 15.0 109.327 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -111.52 143.02 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.299 -1.319 . . . . 15.0 108.03 164.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.808 ' HB3' ' HZ3' ' A' ' 459' ' ' LYS . 9.0 mtpm? -61.13 114.85 11.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 123.161 0.288 . . . . 15.0 111.531 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -63.86 135.45 48.25 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.633 2.222 . . . . 15.0 112.995 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.478 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 -70.76 -12.39 61.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.813 177.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.77 -17.56 58.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.286 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.5 tp -120.05 -32.91 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.985 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.705 ' HB3' ' HZ2' ' A' ' 464' ' ' LYS . 10.0 mtpm? . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.258 -0.877 . . . . 15.0 110.945 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.2 0.524 . . . . 15.0 110.666 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -25.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.998 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 53.0 m95 -106.59 101.85 11.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 171.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.737 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 60.3 m -89.98 99.66 12.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.659 -0.417 . . . . 15.0 110.553 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -89.85 91.24 8.53 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.3 -1.0 . . . . 15.0 108.3 172.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.504 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 53.9 ttt180 -108.65 112.25 24.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.507 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 30.1 ttmt -90.93 108.2 19.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 15.0 110.113 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.66 149.97 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.478 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.53 0.19 13.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 111.127 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.67 -0.9 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.552 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.05 27.41 40.91 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.509 -0.768 . . . . 15.0 111.334 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -126.71 121.03 30.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.742 0.306 . . . . 15.0 110.497 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -103.46 93.09 4.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 25.0 p90 -92.83 126.52 37.95 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 119.285 -0.966 . . . . 15.0 110.927 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.737 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -97.07 101.4 12.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.77 -1.105 . . . . 15.0 108.266 171.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -88.76 116.43 27.02 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.976 0.893 . . . . 15.0 109.413 172.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.999 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.4 t-20 -89.9 123.48 33.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.857 -1.52 . . . . 15.0 110.969 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -94.14 -8.33 39.8 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.214 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.999 ' HB2' HD22 ' A' ' 449' ' ' ASN . 16.1 mmm-85 -65.35 -49.48 69.22 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.216 0.532 . . . . 15.0 110.7 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.4 m -120.02 0.22 10.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.202 -177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.6 mm? 70.42 32.69 2.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.489 0.661 . . . . 15.0 109.84 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 9.7 mm-40 -95.65 132.13 41.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.674 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.712 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 33.3 p -89.92 111.78 22.95 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 173.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 2.7 p -115.48 113.71 24.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.02 -174.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.712 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 24.0 m95 -107.72 14.38 25.63 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 122.772 1.273 . . . . 15.0 108.369 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -113.96 150.03 34.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 112.508 -2.133 . . . . 15.0 107.376 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.04 120.37 73.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 15.0 111.367 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 125.25 18.47 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.188 2.592 . . . . 15.0 112.154 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -87.62 -17.22 32.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.676 -175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.0 0.429 . . . . 15.0 110.566 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.6 tp -95.35 -3.23 47.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.187 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.797 -0.621 . . . . 15.0 110.241 -179.087 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.907 0.384 . . . . 15.0 110.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.455 ' CG ' HD22 ' A' ' 449' ' ' ASN . 1.6 pm0 -79.56 -6.48 57.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.207 -0.452 . . . . 15.0 112.158 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.455 ' HB2' HD13 ' A' ' 463' ' ' LEU . 78.6 m95 -89.63 110.99 21.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.953 -0.758 . . . . 15.0 108.953 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.819 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 43.9 m -90.01 105.74 18.01 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.953 -0.299 . . . . 15.0 111.197 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 54.9 tt0 -89.85 93.04 9.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.367 1.042 . . . . 15.0 108.48 169.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.477 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.5 ttt180 -102.24 126.65 49.29 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.019 -0.734 . . . . 15.0 109.019 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 24.8 ttmm -89.79 111.89 23.03 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.373 -176.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.5 p -89.64 149.65 22.71 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.381 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.91 -4.65 7.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.732 -0.667 . . . . 15.0 112.218 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.08 -6.54 53.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 15.0 109.944 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.79 27.91 20.31 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.677 -0.692 . . . . 15.0 111.538 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -132.21 120.36 22.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 15.0 111.622 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.542 ' HB ' ' HG3' ' A' ' 437' ' ' GLU . 13.2 p -89.9 106.8 18.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 15.0 109.606 172.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.557 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.1 p90 -96.15 124.99 40.37 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 119.982 -0.687 . . . . 15.0 110.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.894 ' HH ' ' HG2' ' A' ' 459' ' ' LYS . 1.8 m-85 -95.69 89.54 5.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.327 -0.619 . . . . 15.0 109.327 174.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.84 127.66 36.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.161 0.505 . . . . 15.0 109.966 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.455 HD22 ' CG ' ' A' ' 434' ' ' GLU . 46.8 t-20 -134.61 144.21 47.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 15.0 110.034 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -85.73 -2.34 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 15.0 109.597 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.425 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 33.2 mmt180 -59.66 -47.37 85.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.422 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 4.9 p -120.17 -1.62 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.555 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 61.35 24.91 14.95 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.54 0.686 . . . . 15.0 109.961 -171.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.423 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 52.1 mm-40 -108.87 148.54 30.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.96 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 51.0 p -113.66 116.17 29.03 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.233 -0.894 . . . . 15.0 109.362 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.686 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 76.8 p -100.49 124.38 45.95 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.794 -0.817 . . . . 15.0 108.794 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 34.0 m95 -104.04 11.14 35.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.415 1.102 . . . . 15.0 109.166 -173.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -120.0 143.4 48.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.254 -1.794 . . . . 15.0 107.383 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.894 ' HG2' ' HH ' ' A' ' 447' ' ' TYR . 64.9 mttm -59.92 113.7 7.93 Favored Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 117.944 0.338 . . . . 15.0 111.366 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.11 134.16 19.04 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.553 2.169 . . . . 15.0 111.919 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.77 -8.89 59.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.23 0.538 . . . . 15.0 110.351 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -79.46 -7.5 58.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.225 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 435' ' ' TRP . 45.5 tp -81.69 -7.49 59.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 15.0 110.032 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 16.5 ttpp . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.791 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.176 0.512 . . . . 15.0 110.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.26 23.33 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.526 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.498 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 10.8 m95 -121.74 111.62 17.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.677 -0.692 . . . . 15.0 109.867 -172.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.8 m -90.11 107.29 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.379 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 7.8 pt-20 -96.43 93.26 6.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.542 0.687 . . . . 15.0 109.766 172.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.557 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 77.7 ttt180 -90.2 113.25 25.01 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.87 -0.789 . . . . 15.0 108.87 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.71 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 3.8 ttmp? -89.96 96.55 10.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.549 0.69 . . . . 15.0 109.696 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.8 p -89.72 146.46 24.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.96 -1.018 . . . . 15.0 111.101 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 443' ' ' GLY . . . -70.72 3.74 2.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.791 -0.641 . . . . 15.0 111.332 -177.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.38 3.51 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.64 0.733 . . . . 15.0 109.519 174.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 441' ' ' ALA . . . 83.53 17.97 65.08 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.558 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -137.33 126.82 25.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.912 0.387 . . . . 15.0 110.714 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.6 m -104.25 99.12 8.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.026 -0.731 . . . . 15.0 109.026 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 46.5 p90 -89.85 134.2 34.33 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 119.743 -0.783 . . . . 15.0 111.473 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 9.3 m-85 -101.12 94.0 5.76 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.439 174.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -88.81 119.0 28.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.912 0.863 . . . . 15.0 108.735 168.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.586 HD22 ' HG3' ' A' ' 451' ' ' ARG . 2.3 t-20 -108.11 142.36 38.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.107 -1.406 . . . . 15.0 112.272 -169.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -94.39 -8.54 38.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 15.0 110.739 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.586 ' HG3' HD22 ' A' ' 449' ' ' ASN . 2.1 mtm180 -60.28 -53.53 56.59 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.207 0.527 . . . . 15.0 110.37 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.487 ' HG1' ' CG ' ' A' ' 454' ' ' GLU . 2.7 p -119.98 0.18 10.73 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.351 -0.84 . . . . 15.0 111.971 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.7 mm? 70.67 31.97 2.67 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.386 0.612 . . . . 15.0 109.832 -176.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.487 ' CG ' ' HG1' ' A' ' 452' ' ' THR . 17.0 mm-40 -96.98 135.61 38.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.979 -1.01 . . . . 15.0 111.229 -174.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.0 t -96.23 101.89 13.6 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 t -116.92 136.75 52.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.448 0.642 . . . . 15.0 109.983 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 23.5 m95 -114.56 18.86 16.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.549 1.166 . . . . 15.0 108.565 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -114.13 145.54 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 112.949 -1.932 . . . . 15.0 107.846 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -73.19 110.83 9.51 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 111.796 0.295 . . . . 15.0 111.796 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.05 141.16 56.77 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.094 2.529 . . . . 15.0 113.565 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -67.71 -19.47 65.15 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.443 -0.798 . . . . 15.0 111.666 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.97 -6.73 40.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.017 0.377 . . . . 15.0 112.017 -173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 21.2 tp -108.5 6.16 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.459 . . . . 15.0 110.604 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 53.2 tttm . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.584 -0.722 . . . . 15.0 110.57 -179.699 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.568 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 17.6 pt-20 -99.77 -20.26 16.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.822 -175.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 67.8 m95 -118.4 114.21 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 93.7 m -89.85 90.87 8.37 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.461 -0.57 . . . . 15.0 109.461 174.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.99 89.72 7.83 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.552 0.692 . . . . 15.0 109.351 173.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 32.7 ttt180 -93.09 113.83 26.19 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.46 ' HE3' ' HB3' ' A' ' 439' ' ' LYS . 5.3 ptpp? -89.71 97.85 11.43 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.754 0.788 . . . . 15.0 110.266 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.4 p -89.56 148.02 23.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.847 -1.07 . . . . 15.0 110.534 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.42 -2.79 9.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.815 -173.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -74.1 1.55 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.434 0.635 . . . . 15.0 109.888 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 28.72 21.05 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.627 -0.715 . . . . 15.0 112.62 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -150.07 128.91 12.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.168 0.508 . . . . 15.0 112.013 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 43.5 p -93.11 105.47 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.427 171.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.513 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 33.9 p90 -91.6 132.83 36.05 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 119.253 -0.979 . . . . 15.0 110.305 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 5.9 m-85 -104.48 97.76 7.64 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.922 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.99 123.1 33.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 15.0 109.332 167.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.947 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -102.14 141.81 34.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.899 -1.5 . . . . 15.0 112.033 -170.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -105.24 -3.92 22.29 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.964 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.947 ' HB2' HD22 ' A' ' 449' ' ' ASN . 93.7 mtt180 -62.0 -56.21 21.41 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.452 0.644 . . . . 15.0 110.214 175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.5 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.11 -0.07 10.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 15.0 111.026 -174.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 65.71 75.09 0.36 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.501 0.667 . . . . 15.0 109.434 -171.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.5 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 49.9 mt-10 -128.07 150.0 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.075 -0.966 . . . . 15.0 110.701 -173.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.1 t -114.36 110.14 19.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.332 -0.988 . . . . 15.0 108.332 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -131.9 132.39 43.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.814 0.816 . . . . 15.0 109.594 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.513 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -115.3 17.16 16.69 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.503 1.144 . . . . 15.0 109.015 -170.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -120.11 128.71 53.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.135 -1.848 . . . . 15.0 108.102 171.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.539 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 7.8 mtpm? -59.79 113.99 8.55 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.284 0.365 . . . . 15.0 111.9 -172.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -58.36 141.97 97.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.24 2.627 . . . . 15.0 112.428 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.25 -17.57 64.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.972 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.04 -26.33 68.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -120.17 79.99 1.54 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.071 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.627 ' HZ1' ' HB2' ' A' ' 464' ' ' LYS . 4.6 ttmp? . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.299 -0.864 . . . . 15.0 109.389 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.215 0.531 . . . . 15.0 110.358 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.412 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 3.3 mp0 -95.09 -8.91 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.087 -169.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.6 ' HB2' HD11 ' A' ' 463' ' ' LEU . 16.2 m95 -127.65 109.27 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.087 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.61 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.6 m -90.67 102.51 15.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.356 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.7 pt-20 -90.08 98.87 12.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.733 0.778 . . . . 15.0 109.305 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -123.74 130.91 53.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.943 -1.026 . . . . 15.0 109.287 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -97.65 120.55 38.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.171 0.51 . . . . 15.0 110.508 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 442' ' ' ASP . 38.2 p -89.44 150.21 22.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.306 -0.861 . . . . 15.0 109.536 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.53 7.17 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.2 t70 -86.06 -9.26 57.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.537 0.684 . . . . 15.0 109.498 173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 42.49 5.25 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.481 -0.781 . . . . 15.0 112.243 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -139.81 128.53 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.742 0.306 . . . . 15.0 111.369 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.1 m -94.28 94.67 8.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.537 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 18.2 p90 -90.55 140.47 29.72 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.78 -0.768 . . . . 15.0 110.627 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.61 ' HA ' ' O ' ' A' ' 436' ' ' THR . 10.7 m-85 -105.42 101.14 10.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.45 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.71 121.24 30.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.324 1.059 . . . . 15.0 109.291 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.032 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -101.31 134.39 44.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.124 -1.853 . . . . 15.0 111.528 -174.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -100.97 -0.93 35.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.761 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.032 ' HB2' HD22 ' A' ' 449' ' ' ASN . 5.8 mmp_? -64.08 -53.1 54.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.411 0.624 . . . . 15.0 110.056 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.723 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.4 m -120.1 0.28 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.835 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 72.16 29.18 2.33 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.622 0.725 . . . . 15.0 109.197 -174.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.723 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 mm-40 -90.44 119.5 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.776 -1.102 . . . . 15.0 110.854 -174.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 106.56 18.56 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.376 -0.972 . . . . 15.0 108.376 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -120.31 134.04 55.34 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.576 0.703 . . . . 15.0 109.702 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.537 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 25.2 m95 -114.25 14.69 18.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 122.247 1.023 . . . . 15.0 109.556 -169.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 138.62 45.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.823 -1.535 . . . . 15.0 107.643 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.74 113.13 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.191 0.441 . . . . 15.0 112.191 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.15 128.31 8.95 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.762 2.308 . . . . 15.0 111.729 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.442 ' NE2' ' HB2' ' A' ' 464' ' ' LYS . 55.7 tp60 -82.52 -4.7 57.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 15.0 110.609 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.441 ' OE1' ' HZ2' ' A' ' 435' ' ' TRP . 31.8 tt0 -75.02 -4.68 39.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.935 0.398 . . . . 15.0 111.159 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 435' ' ' TRP . 1.6 tt -94.54 -28.8 15.23 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.528 -0.545 . . . . 15.0 109.528 177.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' HB2' ' NE2' ' A' ' 461' ' ' GLN . 71.2 mmtt . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.478 -0.772 . . . . 15.0 110.613 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.669 0.271 . . . . 15.0 110.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.462 ' HG3' ' HD2' ' A' ' 451' ' ' ARG . 2.4 pm0 -78.06 -20.62 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 15.0 109.676 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HZ2' ' NH1' ' A' ' 451' ' ' ARG . 57.4 m95 -90.33 111.58 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.392 -0.966 . . . . 15.0 108.392 173.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.727 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 48.6 m -89.58 105.34 17.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.563 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 7.2 pt-20 -89.91 89.95 7.96 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 122.006 0.908 . . . . 15.0 108.632 170.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -92.65 118.94 31.57 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.364 -0.976 . . . . 15.0 108.364 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.565 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -90.06 111.2 22.23 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.994 0.902 . . . . 15.0 109.779 -175.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.2 p -89.62 147.56 23.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.463 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.18 -13.17 57.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.43 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.99 -3.25 38.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.383 0.611 . . . . 15.0 110.222 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 33.2 9.11 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.604 -0.726 . . . . 15.0 112.333 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -126.88 111.28 13.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.905 0.383 . . . . 15.0 111.527 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 p -90.1 92.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.819 -0.628 . . . . 15.0 109.533 170.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 14.3 p90 -96.76 130.04 44.08 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.421 -0.512 . . . . 15.0 110.492 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.727 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -94.08 89.62 6.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.08 122.04 32.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.443 0.639 . . . . 15.0 109.37 170.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.541 ' OD1' ' HB2' ' A' ' 451' ' ' ARG . 2.3 t-20 -127.49 150.09 49.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.991 -1.004 . . . . 15.0 112.044 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -96.72 -2.55 44.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.693 -1.14 . . . . 15.0 111.524 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.541 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 73.9 mtp180 -70.17 -46.57 64.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 15.0 110.589 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.5 p -120.08 -0.03 10.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.293 0.479 . . . . 15.0 112.293 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 62.41 38.33 12.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.329 0.585 . . . . 15.0 110.491 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -118.58 150.03 40.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.507 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 10.9 p -111.23 115.37 29.25 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.803 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.656 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 41.2 p -101.17 116.03 31.88 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.392 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.496 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 35.8 m95 -95.51 9.56 39.67 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.966 0.889 . . . . 15.0 109.809 -174.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -119.74 148.12 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 113.966 -1.47 . . . . 15.0 107.499 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.736 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -67.03 116.08 32.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 117.763 0.256 . . . . 15.0 111.482 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -68.38 113.43 3.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.45 2.1 . . . . 15.0 111.322 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.43 0.34 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.331 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -24.28 63.78 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.265 -1.013 . . . . 15.0 108.265 171.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 464' ' ' LYS . 36.0 tp -88.8 -73.5 0.5 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.957 -1.127 . . . . 15.0 107.957 169.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 464' ' ' LYS . 38.9 tptt . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.305 -0.861 . . . . 15.0 109.672 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.54 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 -89.87 -9.25 49.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.825 0.345 . . . . 15.0 111.11 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.87 ' CD1' ' HG ' ' A' ' 463' ' ' LEU . 32.4 m95 -121.18 117.89 28.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.957 -0.757 . . . . 15.0 108.957 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.5 m -89.74 97.16 11.03 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -90.23 90.42 8.08 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.913 -0.773 . . . . 15.0 108.913 173.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.596 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 28.0 ttt180 -116.11 122.26 44.58 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.771 -0.65 . . . . 15.0 109.813 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.849 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.63 118.56 29.34 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.625 179.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.7 p -89.74 150.1 22.45 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.45 -0.795 . . . . 15.0 110.094 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.83 -0.74 2.38 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.415 0.524 . . . . 15.0 112.415 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.549 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 21.0 t70 -88.39 -4.61 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.585 0.707 . . . . 15.0 109.802 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 30.92 11.7 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.604 -0.725 . . . . 15.0 111.842 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.549 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.2 mttm -119.36 115.1 23.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 15.0 110.82 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.8 p -90.04 94.24 9.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 170.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.596 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 34.4 p90 -89.85 141.86 28.24 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 119.878 -0.729 . . . . 15.0 110.013 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.63 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.1 m-85 -111.25 101.58 10.06 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -89.06 113.0 24.08 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.921 0.867 . . . . 15.0 109.007 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.009 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -90.07 134.22 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.019 -1.446 . . . . 15.0 112.067 -173.122 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -6.25 28.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.705 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.009 ' HB2' HD22 ' A' ' 449' ' ' ASN . 34.4 mmt180 -65.7 -54.13 31.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.102 0.477 . . . . 15.0 110.428 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.834 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.25 0.3 10.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.225 -177.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.3 mm? 72.69 40.69 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.476 0.655 . . . . 15.0 109.55 -175.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.834 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -99.73 125.88 45.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.108 -0.951 . . . . 15.0 110.661 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 t -92.18 111.6 23.22 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -132.14 130.75 41.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.651 0.739 . . . . 15.0 109.775 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.596 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.4 m95 -111.16 20.01 17.82 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.375 1.083 . . . . 15.0 109.3 -170.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -112.77 145.43 40.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 113.224 -1.807 . . . . 15.0 107.465 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.21 113.69 19.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 121.129 -0.229 . . . . 15.0 111.18 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.37 130.68 32.9 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.06 2.506 . . . . 15.0 112.448 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.49 -20.59 33.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.781 -0.645 . . . . 15.0 110.506 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.73 8.61 27.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.069 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.87 ' HG ' ' CD1' ' A' ' 435' ' ' TRP . 5.6 tt -71.21 -27.09 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 176.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.6 tttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.638 -0.696 . . . . 15.0 110.018 -179.787 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.767 0.317 . . . . 15.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.55 -26.09 66.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.479 -0.328 . . . . 15.0 111.606 -172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -118.72 108.55 15.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.656 -0.498 . . . . 15.0 109.656 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.2 m -89.53 100.62 13.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.398 -0.365 . . . . 15.0 110.273 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.3 pt-20 -90.0 90.28 8.07 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.291 171.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.68 ' HD2' ' HH ' ' A' ' 446' ' ' TYR . 39.3 ttm180 -100.39 121.19 41.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -89.83 105.96 18.15 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.874 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 442' ' ' ASP . 69.9 p -89.75 138.54 31.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.97 176.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.2 10.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.0 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 440' ' ' THR . 38.7 t70 -86.95 -1.88 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.549 0.69 . . . . 15.0 109.362 174.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.12 32.82 10.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.305 -0.861 . . . . 15.0 112.334 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -146.98 126.33 13.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.553 0.692 . . . . 15.0 111.429 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -97.75 113.96 25.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.719 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.68 ' HH ' ' HD2' ' A' ' 438' ' ' ARG . 31.8 p90 -98.35 135.13 40.39 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.332 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' A' ' 436' ' ' THR . 51.5 m-85 -101.57 93.94 5.62 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.659 172.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -89.21 123.07 33.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.684 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.575 HD22 ' HB2' ' A' ' 451' ' ' ARG . 6.1 t-20 -109.35 142.89 39.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.675 -1.148 . . . . 15.0 112.595 -172.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -101.55 -4.67 26.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.729 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.575 ' HB2' HD22 ' A' ' 449' ' ' ASN . 87.2 mtt180 -64.71 -54.85 25.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.179 0.514 . . . . 15.0 111.02 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.3 t -120.51 0.42 10.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.905 -0.588 . . . . 15.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 67.39 69.78 0.37 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.736 0.779 . . . . 15.0 110.039 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.03 132.25 38.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.719 -1.128 . . . . 15.0 110.856 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.426 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 11.6 p -97.8 111.13 23.54 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 171.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 t -122.67 128.23 50.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.395 0.616 . . . . 15.0 109.518 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.672 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 27.6 m95 -112.09 2.37 16.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.898 0.856 . . . . 15.0 110.047 -170.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.89 132.72 46.16 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.359 -1.291 . . . . 15.0 107.959 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.57 119.8 46.87 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.37 118.51 5.39 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.64 2.227 . . . . 15.0 111.785 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -84.43 -3.29 58.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.699 -175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -11.44 59.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 15.0 110.65 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 40.1 tp -82.36 -5.38 58.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.151 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.683 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.933 0.396 . . . . 15.0 110.771 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.476 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 0.5 OUTLIER -100.11 -13.32 19.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.572 -0.286 . . . . 15.0 111.425 -176.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 41.0 m95 -109.61 105.6 14.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.3 m -91.32 100.93 13.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.499 176.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.583 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -92.73 90.14 6.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.909 0.862 . . . . 15.0 109.317 170.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.439 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 73.9 ttt180 -90.37 126.85 36.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.512 -0.767 . . . . 15.0 110.066 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -89.75 105.69 17.97 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.393 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 57.6 p -89.52 143.93 26.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.069 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.07 28.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.988 0.423 . . . . 15.0 111.124 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.0 -5.93 29.86 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.36 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.56 35.93 9.03 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.894 -0.594 . . . . 15.0 112.404 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -142.06 125.09 16.23 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.912 0.387 . . . . 15.0 111.536 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 15.0 109.705 170.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.496 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.4 p90 -96.65 130.88 43.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.344 -0.942 . . . . 15.0 110.16 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 5.4 m-85 -95.94 101.94 13.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.069 175.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.91 114.74 25.86 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 122.086 0.946 . . . . 15.0 108.961 168.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.043 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.2 t-20 -90.39 130.41 36.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.667 -1.606 . . . . 15.0 111.669 -173.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -98.86 -1.91 39.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.043 ' HB2' HD22 ' A' ' 449' ' ' ASN . 30.6 mmt180 -71.27 -50.78 29.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.761 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.962 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.7 OUTLIER -120.08 0.09 10.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 15.0 111.202 -179.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.3 mm? 72.89 35.07 1.04 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.586 0.708 . . . . 15.0 109.608 -174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.962 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 41.6 mt-10 -91.55 141.93 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.119 -0.946 . . . . 15.0 111.049 -174.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.401 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 25.1 p -93.97 113.24 25.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 p -120.0 117.3 27.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 15.0 110.628 -173.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 32.6 m95 -116.25 5.26 13.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.822 0.82 . . . . 15.0 110.106 -174.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -109.88 133.84 52.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.655 -1.239 . . . . 15.0 107.655 165.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.547 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 8.6 mtpm? -60.25 117.76 27.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 112.254 0.465 . . . . 15.0 112.254 -170.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -59.17 140.44 94.94 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.152 2.568 . . . . 15.0 112.839 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -87.58 -12.44 45.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.519 0.676 . . . . 15.0 109.469 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -70.18 -12.53 61.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.703 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.23 -7.91 40.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.655 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.891 -0.576 . . . . 15.0 110.186 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.828 0.346 . . . . 15.0 110.618 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.587 ' HB3' ' HG3' ' A' ' 451' ' ' ARG . 3.4 mp0 -92.45 -11.3 35.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.144 -171.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 67.2 m95 -125.71 103.59 7.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.002 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.0 m -89.89 92.98 9.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.769 0.318 . . . . 15.0 110.401 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.6 pt-20 -89.72 92.39 9.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.255 -0.646 . . . . 15.0 109.255 169.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.541 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.1 ttm180 -97.57 116.04 29.02 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.84 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -90.05 101.79 14.5 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 444' ' ' LYS . 2.1 t -89.68 146.96 24.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.477 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.39 -3.37 8.11 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.516 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -73.07 -6.05 43.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.752 0.787 . . . . 15.0 109.573 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.7 25.8 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.368 -0.833 . . . . 15.0 112.747 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 440' ' ' THR . 60.0 mttp -127.13 125.6 41.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.671 -0.412 . . . . 15.0 111.265 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.85 90.09 4.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.541 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 38.9 p90 -90.46 139.05 31.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.456 0.646 . . . . 15.0 110.774 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 16.9 m-85 -103.36 98.27 8.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.835 -1.075 . . . . 15.0 109.785 176.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.89 120.24 30.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.038 0.923 . . . . 15.0 109.426 169.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.052 HD22 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -93.03 136.9 32.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.012 -1.449 . . . . 15.0 111.94 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.03 -5.38 24.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.947 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.052 ' HB2' HD22 ' A' ' 449' ' ' ASN . 54.9 mtp180 -73.68 -48.66 30.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.072 0.397 . . . . 15.0 112.072 -177.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.45 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.32 -0.13 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 15.0 110.956 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 mm? 65.66 71.62 0.42 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.454 0.645 . . . . 15.0 109.446 -171.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.45 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 43.2 mt-10 -133.4 136.05 45.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 15.0 110.33 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.436 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 8.4 p -93.07 115.21 27.89 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.377 -0.601 . . . . 15.0 109.377 171.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 4.8 t -127.71 128.66 45.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.665 0.745 . . . . 15.0 109.983 -176.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.1 m95 -114.6 16.23 17.6 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.183 0.992 . . . . 15.0 109.345 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -119.82 129.83 54.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.792 -1.549 . . . . 15.0 108.246 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -60.34 123.79 74.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.719 0.637 . . . . 15.0 112.719 -170.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.88 123.47 12.32 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.762 2.308 . . . . 15.0 111.891 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -73.52 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 15.0 111.975 -174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.25 -9.2 53.72 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.045 -0.41 . . . . 15.0 111.568 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.5 tt -85.38 -55.42 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.9 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 65.5 mttm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.575 -0.726 . . . . 15.0 111.305 -172.239 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.233 0.54 . . . . 15.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.57 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 0.0 OUTLIER -115.89 9.66 15.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.554 . . . . 15.0 111.082 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 96.9 m95 -89.69 132.83 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.665 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.0 m -89.59 97.75 11.38 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 109.617 -0.512 . . . . 15.0 109.617 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.88 91.96 8.82 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 107.31 -1.367 . . . . 15.0 107.31 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 446' ' ' TYR . 26.9 ttt180 -105.09 105.9 16.16 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.221 -1.029 . . . . 15.0 108.221 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 27.9 ttmt -90.09 101.43 14.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.107 -0.951 . . . . 15.0 110.666 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.6 p -89.7 135.59 33.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.595 -0.729 . . . . 15.0 110.895 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.38 14.68 0.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 15.0 112.377 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.87 4.04 31.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 15.0 109.183 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.28 8.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.284 -0.871 . . . . 15.0 112.044 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 128.37 12.19 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.973 0.416 . . . . 15.0 111.289 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -104.13 130.02 51.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.236 -0.653 . . . . 15.0 109.236 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 27.4 p90 -121.59 134.67 55.01 Favored 'General case' 0 CA--C 1.502 -0.865 0 C-N-CA 120.066 -0.653 . . . . 15.0 111.358 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.665 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.9 m-85 -108.53 89.6 3.04 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.87 176.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.437 ' O ' ' HB ' ' A' ' 436' ' ' THR . 20.1 t80 -89.53 129.83 35.94 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.675 0.75 . . . . 15.0 112.062 170.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.503 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 52.0 t-20 -140.19 149.56 43.1 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.841 -1.072 . . . . 15.0 108.832 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.535 ' HA ' HD23 ' A' ' 453' ' ' LEU . 16.2 m120 -87.42 -1.33 57.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.314 0.578 . . . . 15.0 109.462 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.57 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 30.9 mtp180 -67.11 -31.81 72.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.832 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.2 p -120.14 -16.2 8.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.794 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mm? 60.42 29.13 18.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.523 0.678 . . . . 15.0 110.012 -167.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.02 133.36 55.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.079 -0.964 . . . . 15.0 111.156 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.3 t -89.77 111.36 22.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.775 -1.195 . . . . 15.0 107.775 167.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.595 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 27.9 p -93.07 124.09 36.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.33 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.545 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -107.21 0.88 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.044 0.926 . . . . 15.0 109.073 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.39 133.18 53.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.633 -1.617 . . . . 15.0 106.633 163.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.715 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -63.85 122.83 79.25 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 112.703 0.631 . . . . 15.0 112.703 -169.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.08 135.57 59.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.144 2.563 . . . . 15.0 111.388 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -88.66 -17.29 30.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.583 -172.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.67 -12.7 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.606 -0.438 . . . . 15.0 111.421 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.19 1.06 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.858 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.661 -0.685 . . . . 15.0 109.737 174.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.027 0.441 . . . . 15.0 110.576 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.14 -16.18 38.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.95 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 37.9 m95 -124.9 117.68 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.339 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.8 m -89.79 97.36 11.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.24 97.23 11.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.311 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.542 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.4 ttt180 -128.19 115.36 18.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.394 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -91.67 114.77 27.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.682 0.753 . . . . 15.0 111.266 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.9 p -89.67 140.63 29.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.436 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.37 6.5 0.77 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.108 0.781 . . . . 15.0 113.108 -171.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.73 -4.48 49.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.626 0.727 . . . . 15.0 109.955 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 24.84 28.12 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.569 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.813 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 5.1 ptpp? -135.82 134.45 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.113 0.483 . . . . 15.0 110.091 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.6 m -113.3 114.31 26.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.972 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.768 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 22.5 p90 -97.23 124.99 41.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 119.914 -0.714 . . . . 15.0 111.003 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.825 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 37.0 m-85 -98.64 94.49 6.68 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.128 -0.942 . . . . 15.0 108.873 170.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -88.91 121.5 31.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.011 0.91 . . . . 15.0 110.311 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.604 HD22 ' HB2' ' A' ' 451' ' ' ARG . 5.1 t-20 -106.75 142.05 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.093 -1.412 . . . . 15.0 112.329 -173.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -102.95 -3.68 25.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.782 -0.644 . . . . 15.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.604 ' HB2' HD22 ' A' ' 449' ' ' ASN . 24.1 mmm180 -67.91 -55.7 11.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.907 0.384 . . . . 15.0 111.296 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.839 HG21 ' HG3' ' A' ' 454' ' ' GLU . 6.0 t -120.11 0.5 10.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.2 mm? 69.16 71.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.43 0.634 . . . . 15.0 110.691 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.839 ' HG3' HG21 ' A' ' 452' ' ' THR . 24.7 mt-10 -136.0 141.45 44.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.283 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.639 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 52.6 p -100.38 109.4 21.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.595 -0.891 . . . . 15.0 108.595 168.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.825 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 25.4 p -101.7 111.1 23.24 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.974 -176.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.813 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 35.8 m95 -100.0 -7.31 25.24 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.192 0.996 . . . . 15.0 108.401 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -102.48 134.11 46.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.545 -1.661 . . . . 15.0 106.671 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -59.98 123.62 73.08 Favored Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -54.83 123.33 13.48 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.666 2.244 . . . . 15.0 110.867 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.44 -6.63 44.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.434 -0.348 . . . . 15.0 111.869 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.84 -16.76 52.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.282 0.563 . . . . 15.0 109.994 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.34 -9.8 19.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 mptt . . . . . 0 C--O 1.246 0.903 0 CA-C-N 115.046 -0.979 . . . . 15.0 111.54 177.318 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.068 0.461 . . . . 15.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.69 -15.37 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.605 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.473 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 57.7 m95 -117.43 100.08 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.664 -0.698 . . . . 15.0 109.371 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.0 m -90.51 100.74 13.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.88 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -90.04 94.06 9.64 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.583 -0.895 . . . . 15.0 108.583 169.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.443 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 35.7 ttt180 -105.0 118.13 35.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.424 ' HZ3' ' HB3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.92 108.51 19.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.555 -0.748 . . . . 15.0 109.96 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.577 ' OG1' ' HG3' ' A' ' 444' ' ' LYS . 35.2 p -89.71 149.96 22.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.88 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.33 40.23 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.396 0.888 . . . . 15.0 113.396 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.06 -11.97 45.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.48 0.657 . . . . 15.0 110.734 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.22 24.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.974 -0.632 . . . . 15.0 111.547 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.7 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.6 ptpp? -120.95 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.358 0.599 . . . . 15.0 110.663 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 113.58 25.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.171 174.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 29.7 p90 -105.52 139.09 40.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.727 -0.789 . . . . 15.0 110.551 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 436' ' ' THR . 41.2 m-85 -105.4 103.54 13.09 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.029 -0.987 . . . . 15.0 109.578 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.75 118.15 28.24 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 122.071 0.939 . . . . 15.0 109.59 169.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.035 HD22 ' HB2' ' A' ' 451' ' ' ARG . 4.3 t-20 -92.88 131.47 37.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.951 -1.477 . . . . 15.0 111.314 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.96 -2.26 27.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.651 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.035 ' HB2' HD22 ' A' ' 449' ' ' ASN . 18.1 mmt180 -66.13 -52.28 50.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.866 0.365 . . . . 15.0 111.176 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.494 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.8 OUTLIER -120.11 0.05 10.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.63 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.1 mm? 67.11 74.99 0.32 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.765 0.793 . . . . 15.0 109.579 -168.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 32.7 mt-10 -132.62 125.49 30.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.885 -1.052 . . . . 15.0 110.183 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 t -89.86 112.75 24.19 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.095 -1.076 . . . . 15.0 108.095 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.3 t -129.38 125.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.92 0.867 . . . . 15.0 109.939 -173.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.7 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 28.1 m95 -114.88 20.14 15.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.353 1.073 . . . . 15.0 109.522 -168.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.03 146.15 41.55 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.531 -1.668 . . . . 15.0 107.919 167.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.52 ' HZ2' ' HB3' ' A' ' 459' ' ' LYS . 8.4 mtpm? -69.72 120.92 80.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.842 0.354 . . . . 15.0 111.446 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -45.43 133.19 12.57 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.154 3.236 . . . . 15.0 113.694 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -10.78 19.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.791 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.42 -11.95 38.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.058 0.456 . . . . 15.0 110.428 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.0 tp -93.75 1.29 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.864 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.251 -0.881 . . . . 15.0 110.057 178.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.117 -0.327 . . . . 15.0 110.117 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.76 83.91 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.312 -0.404 . . . . 15.0 111.4 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -144.38 118.86 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.856 -0.794 . . . . 15.0 108.856 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.729 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 53.3 m -89.91 100.64 13.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 15.0 111.481 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.74 93.51 9.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.073 -0.967 . . . . 15.0 108.496 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -110.78 113.03 25.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -91.97 108.04 19.64 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.407 -175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.3 p -89.69 144.3 26.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.894 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.39 9.68 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.227 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.39 0.4 25.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 15.0 109.626 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.35 24.08 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.885 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.623 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.4 ptpp? -150.07 133.98 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.003 0.43 . . . . 15.0 111.056 -175.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -105.39 117.74 34.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.678 176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.607 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 16.6 p90 -105.31 126.71 52.41 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.977 -0.689 . . . . 15.0 110.855 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.729 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -98.56 89.75 4.51 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.001 -1.0 . . . . 15.0 108.744 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.538 ' O ' ' HB ' ' A' ' 436' ' ' THR . 8.3 t80 -89.09 123.03 33.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.768 0.794 . . . . 15.0 109.811 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.794 HD22 ' HB2' ' A' ' 451' ' ' ARG . 2.4 t-20 -119.88 139.82 51.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.546 -1.206 . . . . 15.0 112.101 -172.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.408 ' HA ' HD23 ' A' ' 453' ' ' LEU . 3.8 t30 -91.72 -12.75 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.062 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.794 ' HB2' HD22 ' A' ' 449' ' ' ASN . 14.5 mmt180 -60.03 -48.04 83.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.677 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.422 HG21 ' HB2' ' A' ' 454' ' ' GLU . 5.3 t -120.27 0.1 10.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.746 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.9 mm? 65.36 35.53 7.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.149 0.499 . . . . 15.0 111.062 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.422 ' HB2' HG21 ' A' ' 452' ' ' THR . 12.8 mt-10 -102.69 134.1 46.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.069 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.782 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 2.7 p -93.35 102.27 14.52 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.26 -0.882 . . . . 15.0 108.781 168.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.521 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 29.4 p -99.53 121.74 41.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.844 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.782 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 43.1 m95 -108.08 -0.32 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.856 0.836 . . . . 15.0 109.53 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.98 136.66 49.65 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.012 -1.477 . . . . 15.0 107.012 163.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -59.93 123.15 70.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.252 0.345 . . . . 15.0 111.473 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 93.5 Cg_exo -45.5 137.0 11.73 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.721 2.948 . . . . 15.0 112.961 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.42 -12.98 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.041 0.448 . . . . 15.0 110.422 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.65 -2.57 58.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 15.0 110.627 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.54 -16.81 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.662 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.285 -0.864 . . . . 15.0 110.406 -175.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.2 OUTLIER -88.0 -32.44 18.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.714 0.292 . . . . 15.0 110.705 -178.249 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.546 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 57.8 m95 -124.84 99.9 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 175.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.9 m -89.93 105.34 17.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 15.0 111.302 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.647 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 3.9 pt-20 -89.86 90.04 8.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.581 0.705 . . . . 15.0 109.864 171.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.406 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -93.91 108.17 19.99 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.565 -0.902 . . . . 15.0 108.565 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.639 ' HB3' HG23 ' A' ' 445' ' ' THR . 7.9 ptpp? -89.92 104.1 16.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.86 0.838 . . . . 15.0 110.608 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 442' ' ' ASP . 73.7 p -89.42 150.24 22.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.537 -1.211 . . . . 15.0 110.326 177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.08 12.1 0.6 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.421 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 440' ' ' THR . 26.2 t70 -79.0 -4.71 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 173.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.81 9.49 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.985 -1.007 . . . . 15.0 111.943 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -144.11 120.81 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 15.0 111.859 -175.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 439' ' ' LYS . 20.4 p -89.84 93.5 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.485 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.592 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 19.6 p90 -96.27 133.16 40.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.762 -0.775 . . . . 15.0 111.138 -176.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.73 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 5.0 m-85 -102.81 95.96 6.53 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.787 -1.097 . . . . 15.0 109.628 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -89.06 127.72 35.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.771 0.796 . . . . 15.0 109.308 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.525 HD22 ' CG ' ' A' ' 451' ' ' ARG . 2.4 t-20 -121.9 140.59 52.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.225 -1.352 . . . . 15.0 111.794 -170.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -93.6 -8.53 40.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.724 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.525 ' CG ' HD22 ' A' ' 449' ' ' ASN . 20.1 mmm180 -60.94 -50.54 72.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.895 0.379 . . . . 15.0 110.687 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -120.06 0.06 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.03 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 65.95 34.06 7.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.48 0.657 . . . . 15.0 109.738 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.26 135.42 47.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.699 -1.137 . . . . 15.0 110.921 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.514 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 50.5 p -99.26 110.7 23.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.406 -0.59 . . . . 15.0 109.406 172.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.73 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 37.0 p -99.81 112.82 25.05 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.687 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.592 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 41.8 m95 -98.29 6.15 47.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.572 1.177 . . . . 15.0 108.508 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.5 132.58 55.63 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 112.988 -1.914 . . . . 15.0 106.996 161.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -63.77 116.72 28.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 111.858 0.318 . . . . 15.0 111.858 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.67 125.85 18.95 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.873 2.382 . . . . 15.0 112.41 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -73.66 -16.83 61.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 15.0 112.06 -175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -83.61 4.08 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.803 -0.359 . . . . 15.0 111.236 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 463' ' ' LEU . 2.8 tt -77.71 -18.89 56.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.631 -0.878 . . . . 15.0 108.631 173.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.618 ' HB3' ' HZ1' ' A' ' 464' ' ' LYS . 5.1 mmmp? . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.775 -1.102 . . . . 15.0 111.72 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.959 0.409 . . . . 15.0 110.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.624 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 5.8 pt-20 -77.9 -7.43 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.076 -0.511 . . . . 15.0 112.139 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.796 ' HB2' HD21 ' A' ' 463' ' ' LEU . 45.4 m95 -122.03 117.65 26.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.848 -0.427 . . . . 15.0 109.848 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.695 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 63.1 m -92.0 103.97 16.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.647 -0.251 . . . . 15.0 110.483 176.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -91.78 89.93 7.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.785 0.802 . . . . 15.0 109.035 174.342 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -102.41 120.87 41.24 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.154 -0.618 . . . . 15.0 110.399 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.497 ' HD2' ' C ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.06 108.27 19.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.353 -0.84 . . . . 15.0 108.755 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.0 p -89.63 150.0 22.57 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.844 -0.617 . . . . 15.0 110.638 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.58 40.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.791 -0.64 . . . . 15.0 112.082 -173.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.87 -7.68 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.504 0.668 . . . . 15.0 109.639 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 32.94 9.21 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.592 -0.731 . . . . 15.0 112.092 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -122.03 115.06 21.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.327 -0.249 . . . . 15.0 110.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 95.58 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.884 -0.784 . . . . 15.0 108.884 170.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.7 p90 -101.03 135.46 42.45 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.548 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.2 m-85 -101.01 99.49 9.95 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.711 -1.131 . . . . 15.0 109.288 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -89.09 118.64 28.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.669 0.747 . . . . 15.0 109.848 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.914 HD22 ' HB2' ' A' ' 451' ' ' ARG . 2.9 t-20 -90.05 137.41 32.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.328 -1.305 . . . . 15.0 112.304 -173.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.94 -0.09 27.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.813 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.914 ' HB2' HD22 ' A' ' 449' ' ' ASN . 4.7 mtm-85 -68.83 -61.36 1.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.416 0.627 . . . . 15.0 110.783 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.834 . . . . 15.0 110.958 -173.075 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.9 mm? 71.2 74.95 0.18 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.51 -172.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 38.0 mt-10 -133.9 128.3 34.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 15.0 110.088 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.1 t -93.49 110.42 22.0 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.016 -0.735 . . . . 15.0 109.016 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.0 p -116.49 113.56 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 15.0 110.421 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 27.4 m95 -107.06 8.85 30.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.364 1.078 . . . . 15.0 109.36 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.94 150.12 25.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.109 -1.86 . . . . 15.0 107.836 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -71.35 115.2 34.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.13 130.55 24.48 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.503 2.136 . . . . 15.0 111.698 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.17 -9.42 46.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.512 0.672 . . . . 15.0 110.051 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.77 -24.67 41.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.28 -0.873 . . . . 15.0 111.171 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 435' ' ' TRP . 26.9 tp -120.09 -0.65 10.49 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.934 -0.307 . . . . 15.0 111.169 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.819 179.277 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 109.44 -0.578 . . . . 15.0 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.54 ' HB3' ' HG3' ' A' ' 451' ' ' ARG . 9.3 mm-40 -95.66 -4.69 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.835 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.514 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 54.8 m95 -117.85 110.87 18.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.015 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.7 m -89.94 96.68 10.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.431 -0.349 . . . . 15.0 110.341 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -90.39 91.55 8.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.482 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.1 ttt180 -122.29 116.38 23.99 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 -177.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 120.22 39.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.909 0.861 . . . . 15.0 110.568 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.3 p -89.61 139.27 30.71 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.224 -0.898 . . . . 15.0 109.899 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.47 2.65 2.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.142 0.496 . . . . 15.0 111.301 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.54 -7.61 45.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.495 0.664 . . . . 15.0 110.023 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 29.87 13.4 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.479 -0.782 . . . . 15.0 112.5 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.766 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.5 ptpp? -144.19 127.45 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 15.0 111.001 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.2 m -96.39 128.83 43.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.796 -0.638 . . . . 15.0 109.826 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 20.7 p90 -119.54 136.87 54.16 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.048 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -107.1 98.66 8.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 114.892 -1.049 . . . . 15.0 109.341 173.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.23 118.26 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.132 0.967 . . . . 15.0 109.994 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 1.059 HD22 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -96.7 133.85 40.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.044 -1.435 . . . . 15.0 112.157 -172.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -97.95 -3.76 37.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.812 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.059 ' HB2' HD22 ' A' ' 449' ' ' ASN . 31.7 mtp180 -70.86 -50.24 37.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.745 0.307 . . . . 15.0 111.511 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 1.022 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 1.5 m -120.19 0.0 10.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.524 -0.307 . . . . 15.0 110.846 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.5 mm? 73.36 35.99 0.85 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.53 0.681 . . . . 15.0 109.522 -172.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 1.022 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.0 mt-10 -93.39 124.59 37.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.947 . . . . 15.0 110.84 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.0 t -90.63 114.52 26.81 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 t -127.69 125.0 39.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.59 0.71 . . . . 15.0 109.847 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.766 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 24.3 m95 -109.63 11.32 24.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.329 1.062 . . . . 15.0 109.207 -171.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -111.68 135.4 52.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.507 164.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -61.13 121.55 63.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 111.888 0.329 . . . . 15.0 111.888 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.17 124.96 11.09 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.636 2.89 . . . . 15.0 112.863 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -21.17 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.124 -172.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -89.09 -9.9 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.485 -0.486 . . . . 15.0 111.042 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 42.6 tp -89.03 -14.96 35.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.328 0.585 . . . . 15.0 110.121 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.082 -0.961 . . . . 15.0 110.256 179.297 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 43.9 m95 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 109.413 -0.588 . . . . 15.0 109.413 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.7 m -89.74 104.42 16.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 15.0 110.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.8 pt-20 -90.12 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.738 -1.119 . . . . 15.0 109.239 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.555 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.5 ttt180 -115.04 113.47 24.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.417 -0.81 . . . . 15.0 109.662 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -89.71 98.61 11.87 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.906 0.86 . . . . 15.0 110.113 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 37.2 p -89.94 147.18 23.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.78 -1.1 . . . . 15.0 111.903 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.29 -1.32 2.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.107 -0.952 . . . . 15.0 111.427 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.77 -10.4 36.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 15.0 109.697 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.48 27.06 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.334 -0.848 . . . . 15.0 111.839 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -145.93 138.24 25.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 15.0 110.793 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 104.82 16.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.683 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 3.3 p90 -97.13 141.46 30.24 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.488 -0.885 . . . . 15.0 111.197 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.3 m-85 -109.44 89.71 3.08 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.12 -0.946 . . . . 15.0 108.663 170.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -90.01 134.65 34.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.169 0.509 . . . . 15.0 111.567 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t-20 -138.77 146.98 42.05 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.137 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.07 2.35 54.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.172 -0.922 . . . . 15.0 108.95 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.56 -50.28 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.14 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.3 p -120.36 0.27 10.54 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.118 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.9 mm? 66.26 27.21 10.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.397 0.617 . . . . 15.0 109.628 -170.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 45.0 mt-10 -103.87 149.76 24.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.589 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.6 p -116.73 113.88 23.22 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.566 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 43.3 p -94.29 106.92 18.89 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.977 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.683 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 28.4 m95 -91.44 1.19 57.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.081 0.943 . . . . 15.0 108.807 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -112.45 137.98 49.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 113.979 -1.464 . . . . 15.0 107.763 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 60.5 mttp -71.45 114.96 32.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -171.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 14.0 Cg_exo -69.6 151.84 70.03 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.961 2.441 . . . . 15.0 112.64 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.114 -0.493 . . . . 15.0 110.407 178.215 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 55.3 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.033 -0.729 . . . . 15.0 109.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 83.2 m -89.85 98.54 11.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.849 -0.34 . . . . 15.0 110.357 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.35 90.21 7.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.552 -0.907 . . . . 15.0 108.552 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.565 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -105.96 115.89 31.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.466 0.651 . . . . 15.0 109.927 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 445' ' ' THR . 2.9 ptpt -91.15 109.07 20.32 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.552 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 61.6 p -89.64 150.15 22.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.652 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.8 21.28 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.55 -3.88 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 15.0 109.795 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.1 26.74 27.82 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.508 -0.769 . . . . 15.0 112.009 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -128.34 118.67 23.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.178 0.513 . . . . 15.0 111.445 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.6 p -92.07 99.8 12.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.353 -0.839 . . . . 15.0 110.026 173.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.565 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 39.2 p90 -92.82 137.14 32.62 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.856 -0.738 . . . . 15.0 110.204 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.677 ' HA ' ' O ' ' A' ' 436' ' ' THR . 11.5 m-85 -105.93 97.91 7.66 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.732 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -89.08 120.73 30.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.098 0.951 . . . . 15.0 109.377 170.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.893 HD22 ' H ' ' A' ' 452' ' ' THR . 0.8 OUTLIER -108.0 137.69 45.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.559 -173.139 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -95.35 -12.24 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 15.0 111.317 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -62.51 -47.23 84.85 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.165 0.507 . . . . 15.0 110.609 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . 1.037 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.6 OUTLIER -120.38 0.44 10.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.019 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.0 mm? 67.16 31.65 6.6 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.451 0.643 . . . . 15.0 109.978 -173.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 1.037 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -92.56 125.2 37.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.913 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 t -92.35 104.46 16.8 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.792 -1.188 . . . . 15.0 107.792 170.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -120.16 131.27 54.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.594 0.712 . . . . 15.0 109.973 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 24.2 m95 -113.47 15.22 19.11 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 122.357 1.075 . . . . 15.0 108.718 -170.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.95 132.75 53.77 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.3 -1.773 . . . . 15.0 108.361 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -66.8 115.21 22.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 123.393 0.433 . . . . 15.0 112.048 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.94 132.52 52.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.588 2.859 . . . . 15.0 112.812 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.965 -179.226 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.5 m95 . . . . . 0 C--O 1.224 -0.267 0 N-CA-C 109.841 -0.429 . . . . 15.0 109.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.709 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 40.5 m -89.71 103.68 16.31 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.378 -0.529 . . . . 15.0 109.99 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.635 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -89.76 89.71 7.89 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.965 0.888 . . . . 15.0 108.723 173.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.486 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 75.3 ttt180 -95.79 112.61 24.29 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.297 -0.865 . . . . 15.0 109.801 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.91 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.62 107.13 18.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.129 -0.942 . . . . 15.0 109.775 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.7 p -89.5 147.46 23.97 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.37 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.86 -14.42 45.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.17 -173.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -5.25 35.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.266 0.555 . . . . 15.0 110.698 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 21.99 36.9 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.614 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -113.59 111.34 21.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.805 0.336 . . . . 15.0 110.602 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 p -95.62 115.42 27.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.15 173.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 23.8 p90 -121.93 140.33 52.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.145 -0.622 . . . . 15.0 110.669 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.709 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.6 m-85 -105.26 89.68 3.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.442 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.464 ' O ' ' HB ' ' A' ' 436' ' ' THR . 13.7 t80 -89.72 132.19 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.036 0.446 . . . . 15.0 110.699 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -141.4 148.67 39.98 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.039 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD22 ' A' ' 453' ' ' LEU . 11.5 m120 -87.22 3.27 47.24 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.282 -176.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 8.7 mmp_? -59.56 -52.96 63.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.076 -0.965 . . . . 15.0 110.192 173.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 454' ' ' GLU . 2.6 t -120.49 0.42 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.161 176.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.2 mm? 65.36 30.99 10.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.321 0.581 . . . . 15.0 110.395 -175.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 452' ' ' THR . 6.3 mm-40 -117.29 147.11 42.87 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.211 -0.904 . . . . 15.0 110.394 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.4 p -110.09 115.98 30.74 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.821 -0.627 . . . . 15.0 109.801 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.1 p -95.44 110.5 22.54 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.45 -0.795 . . . . 15.0 109.565 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 33.8 m95 -93.51 -1.04 56.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.849 0.833 . . . . 15.0 109.327 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -111.52 143.02 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.299 -1.319 . . . . 15.0 108.03 164.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 9.0 mtpm? -61.13 114.85 11.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 123.161 0.288 . . . . 15.0 111.531 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -63.86 135.45 48.25 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.633 2.222 . . . . 15.0 112.995 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.563 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.813 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.523 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 53.0 m95 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.741 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 60.3 m -89.98 99.66 12.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.659 -0.417 . . . . 15.0 110.553 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -89.85 91.24 8.53 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.3 -1.0 . . . . 15.0 108.3 172.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.521 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 53.9 ttt180 -108.65 112.25 24.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.507 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 30.1 ttmt -90.93 108.2 19.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 15.0 110.113 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.66 149.97 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.478 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.53 0.19 13.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 111.127 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.67 -0.9 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.552 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.05 27.41 40.91 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.509 -0.768 . . . . 15.0 111.334 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -126.71 121.03 30.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.742 0.306 . . . . 15.0 110.497 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -103.46 93.09 4.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 25.0 p90 -92.83 126.52 37.95 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 119.285 -0.966 . . . . 15.0 110.927 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.741 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -97.07 101.4 12.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.77 -1.105 . . . . 15.0 108.266 171.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -88.76 116.43 27.02 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.976 0.893 . . . . 15.0 109.413 172.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.008 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.4 t-20 -89.9 123.48 33.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.857 -1.52 . . . . 15.0 110.969 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -94.14 -8.33 39.8 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.214 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.008 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.1 mmm-85 -65.35 -49.48 69.22 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.216 0.532 . . . . 15.0 110.7 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.4 m -120.02 0.22 10.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.202 -177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.6 mm? 70.42 32.69 2.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.489 0.661 . . . . 15.0 109.84 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 9.7 mm-40 -95.65 132.13 41.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.674 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.751 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 33.3 p -89.92 111.78 22.95 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 173.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 2.7 p -115.48 113.71 24.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.02 -174.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.751 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 24.0 m95 -107.72 14.38 25.63 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 122.772 1.273 . . . . 15.0 108.369 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -113.96 150.03 34.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 112.508 -2.133 . . . . 15.0 107.376 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.04 120.37 73.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 15.0 111.367 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 125.25 18.47 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.188 2.592 . . . . 15.0 112.154 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.676 -175.289 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 78.6 m95 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 108.953 -0.758 . . . . 15.0 108.953 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.815 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 43.9 m -90.01 105.74 18.01 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.953 -0.299 . . . . 15.0 111.197 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 54.9 tt0 -89.85 93.04 9.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.367 1.042 . . . . 15.0 108.48 169.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.496 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.5 ttt180 -102.24 126.65 49.29 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.019 -0.734 . . . . 15.0 109.019 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -89.79 111.89 23.03 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.373 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.5 p -89.64 149.65 22.71 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.381 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.91 -4.65 7.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.732 -0.667 . . . . 15.0 112.218 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.08 -6.54 53.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 15.0 109.944 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.79 27.91 20.31 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.677 -0.692 . . . . 15.0 111.538 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -132.21 120.36 22.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 15.0 111.622 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.568 ' HB ' ' HG3' ' A' ' 437' ' ' GLU . 13.2 p -89.9 106.8 18.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 15.0 109.606 172.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.566 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.1 p90 -96.15 124.99 40.37 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 119.982 -0.687 . . . . 15.0 110.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.815 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.8 m-85 -95.69 89.54 5.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.327 -0.619 . . . . 15.0 109.327 174.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.84 127.66 36.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.161 0.505 . . . . 15.0 109.966 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.435 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 46.8 t-20 -134.61 144.21 47.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 15.0 110.034 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -85.73 -2.34 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 15.0 109.597 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 33.2 mmt180 -59.66 -47.37 85.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.422 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 4.9 p -120.17 -1.62 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.555 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 61.35 24.91 14.95 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.54 0.686 . . . . 15.0 109.961 -171.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 52.1 mm-40 -108.87 148.54 30.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.96 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 51.0 p -113.66 116.17 29.03 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.233 -0.894 . . . . 15.0 109.362 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 76.8 p -100.49 124.38 45.95 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.794 -0.817 . . . . 15.0 108.794 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 34.0 m95 -104.04 11.14 35.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.415 1.102 . . . . 15.0 109.166 -173.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -120.0 143.4 48.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.254 -1.794 . . . . 15.0 107.383 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.659 ' HG2' ' OH ' ' A' ' 447' ' ' TYR . 64.9 mttm -59.92 113.7 7.93 Favored Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 117.944 0.338 . . . . 15.0 111.366 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.11 134.16 19.04 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.553 2.169 . . . . 15.0 111.919 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.23 0.538 . . . . 15.0 110.351 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 10.8 m95 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.559 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.8 m -90.11 107.29 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.379 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 7.8 pt-20 -96.43 93.26 6.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.542 0.687 . . . . 15.0 109.766 172.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.574 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 77.7 ttt180 -90.2 113.25 25.01 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.87 -0.789 . . . . 15.0 108.87 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.457 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 3.8 ttmp? -89.96 96.55 10.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.549 0.69 . . . . 15.0 109.696 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.8 p -89.72 146.46 24.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.96 -1.018 . . . . 15.0 111.101 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.72 3.74 2.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.791 -0.641 . . . . 15.0 111.332 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.38 3.51 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.64 0.733 . . . . 15.0 109.519 174.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.53 17.97 65.08 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.558 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -137.33 126.82 25.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.912 0.387 . . . . 15.0 110.714 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.6 m -104.25 99.12 8.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.026 -0.731 . . . . 15.0 109.026 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.574 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 46.5 p90 -89.85 134.2 34.33 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 119.743 -0.783 . . . . 15.0 111.473 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 9.3 m-85 -101.12 94.0 5.76 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.439 174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -88.81 119.0 28.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.912 0.863 . . . . 15.0 108.735 168.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.611 HD21 ' HG3' ' A' ' 451' ' ' ARG . 2.3 t-20 -108.11 142.36 38.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.107 -1.406 . . . . 15.0 112.272 -169.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -94.39 -8.54 38.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 15.0 110.739 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.611 ' HG3' HD21 ' A' ' 449' ' ' ASN . 2.1 mtm180 -60.28 -53.53 56.59 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.207 0.527 . . . . 15.0 110.37 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -119.98 0.18 10.73 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.351 -0.84 . . . . 15.0 111.971 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.7 mm? 70.67 31.97 2.67 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.386 0.612 . . . . 15.0 109.832 -176.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -96.98 135.61 38.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.979 -1.01 . . . . 15.0 111.229 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.0 t -96.23 101.89 13.6 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 t -116.92 136.75 52.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.448 0.642 . . . . 15.0 109.983 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 23.5 m95 -114.56 18.86 16.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.549 1.166 . . . . 15.0 108.565 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -114.13 145.54 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 112.949 -1.932 . . . . 15.0 107.846 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -73.19 110.83 9.51 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 111.796 0.295 . . . . 15.0 111.796 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.05 141.16 56.77 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.094 2.529 . . . . 15.0 113.565 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 115.443 -0.798 . . . . 15.0 111.666 177.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 . . . . . 0 CA--C 1.516 -0.328 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 93.7 m -89.85 90.87 8.37 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.461 -0.57 . . . . 15.0 109.461 174.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.99 89.72 7.83 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.552 0.692 . . . . 15.0 109.351 173.383 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.438 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 32.7 ttt180 -93.09 113.83 26.19 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.3 ptpp? -89.71 97.85 11.43 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.754 0.788 . . . . 15.0 110.266 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.4 p -89.56 148.02 23.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.847 -1.07 . . . . 15.0 110.534 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.42 -2.79 9.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.815 -173.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -74.1 1.55 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.434 0.635 . . . . 15.0 109.888 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 28.72 21.05 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.627 -0.715 . . . . 15.0 112.62 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -150.07 128.91 12.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.168 0.508 . . . . 15.0 112.013 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 439' ' ' LYS . 43.5 p -93.11 105.47 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.427 171.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 33.9 p90 -91.6 132.83 36.05 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 119.253 -0.979 . . . . 15.0 110.305 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 5.9 m-85 -104.48 97.76 7.64 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.922 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.99 123.1 33.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 15.0 109.332 167.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.865 ' ND2' ' H ' ' A' ' 452' ' ' THR . 1.3 t30 -102.14 141.81 34.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.899 -1.5 . . . . 15.0 112.033 -170.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -105.24 -3.92 22.29 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.964 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 93.7 mtt180 -62.0 -56.21 21.41 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.452 0.644 . . . . 15.0 110.214 175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.865 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -120.11 -0.07 10.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 15.0 111.026 -174.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.6 mm? 65.71 75.09 0.36 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.501 0.667 . . . . 15.0 109.434 -171.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.519 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 49.9 mt-10 -128.07 150.0 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.075 -0.966 . . . . 15.0 110.701 -173.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.1 t -114.36 110.14 19.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.332 -0.988 . . . . 15.0 108.332 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -131.9 132.39 43.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.814 0.816 . . . . 15.0 109.594 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -115.3 17.16 16.69 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.503 1.144 . . . . 15.0 109.015 -170.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -120.11 128.71 53.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.135 -1.848 . . . . 15.0 108.102 171.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 7.8 mtpm? -59.79 113.99 8.55 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.284 0.365 . . . . 15.0 111.9 -172.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.6 Cg_endo -58.36 141.97 97.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.24 2.627 . . . . 15.0 112.428 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.972 178.158 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 16.2 m95 . . . . . 0 C--O 1.232 0.164 0 N-CA-C 110.087 -0.338 . . . . 15.0 110.087 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.616 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.6 m -90.67 102.51 15.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.356 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.7 pt-20 -90.08 98.87 12.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.733 0.778 . . . . 15.0 109.305 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -123.74 130.91 53.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.943 -1.026 . . . . 15.0 109.287 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -97.65 120.55 38.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.171 0.51 . . . . 15.0 110.508 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.2 p -89.44 150.21 22.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.306 -0.861 . . . . 15.0 109.536 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.53 7.17 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -86.06 -9.26 57.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.537 0.684 . . . . 15.0 109.498 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 42.49 5.25 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.481 -0.781 . . . . 15.0 112.243 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -139.81 128.53 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.742 0.306 . . . . 15.0 111.369 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.1 m -94.28 94.67 8.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.2 p90 -90.55 140.47 29.72 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.78 -0.768 . . . . 15.0 110.627 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.616 ' HA ' ' O ' ' A' ' 436' ' ' THR . 10.7 m-85 -105.42 101.14 10.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.45 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.71 121.24 30.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.324 1.059 . . . . 15.0 109.291 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.025 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -101.31 134.39 44.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.124 -1.853 . . . . 15.0 111.528 -174.452 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -100.97 -0.93 35.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.761 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.025 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.8 mmp_? -64.08 -53.1 54.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.411 0.624 . . . . 15.0 110.056 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.4 m -120.1 0.28 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.835 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 72.16 29.18 2.33 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.622 0.725 . . . . 15.0 109.197 -174.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.764 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 mm-40 -90.44 119.5 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.776 -1.102 . . . . 15.0 110.854 -174.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 106.56 18.56 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.376 -0.972 . . . . 15.0 108.376 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -120.31 134.04 55.34 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.576 0.703 . . . . 15.0 109.702 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.2 m95 -114.25 14.69 18.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 122.247 1.023 . . . . 15.0 109.556 -169.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 138.62 45.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.823 -1.535 . . . . 15.0 107.643 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.74 113.13 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.191 0.441 . . . . 15.0 112.191 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.15 128.31 8.95 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.762 2.308 . . . . 15.0 111.729 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 15.0 110.609 -176.183 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.443 ' HZ2' ' NH1' ' A' ' 451' ' ' ARG . 57.4 m95 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 108.392 -0.966 . . . . 15.0 108.392 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.733 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 48.6 m -89.58 105.34 17.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.563 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 7.2 pt-20 -89.91 89.95 7.96 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 122.006 0.908 . . . . 15.0 108.632 170.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -92.65 118.94 31.57 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.364 -0.976 . . . . 15.0 108.364 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.665 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -90.06 111.2 22.23 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.994 0.902 . . . . 15.0 109.779 -175.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.2 p -89.62 147.56 23.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.463 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.18 -13.17 57.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.43 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.99 -3.25 38.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.383 0.611 . . . . 15.0 110.222 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 33.2 9.11 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.604 -0.726 . . . . 15.0 112.333 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -126.88 111.28 13.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.905 0.383 . . . . 15.0 111.527 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 p -90.1 92.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.819 -0.628 . . . . 15.0 109.533 170.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 14.3 p90 -96.76 130.04 44.08 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.421 -0.512 . . . . 15.0 110.492 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -94.08 89.62 6.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.08 122.04 32.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.443 0.639 . . . . 15.0 109.37 170.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.544 ' OD1' ' HB2' ' A' ' 451' ' ' ARG . 2.3 t-20 -127.49 150.09 49.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.991 -1.004 . . . . 15.0 112.044 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -96.72 -2.55 44.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.693 -1.14 . . . . 15.0 111.524 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 73.9 mtp180 -70.17 -46.57 64.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 15.0 110.589 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.5 p -120.08 -0.03 10.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.293 0.479 . . . . 15.0 112.293 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 62.41 38.33 12.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.329 0.585 . . . . 15.0 110.491 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -118.58 150.03 40.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.507 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 10.9 p -111.23 115.37 29.25 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.803 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.2 p -101.17 116.03 31.88 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.392 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 35.8 m95 -95.51 9.56 39.67 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.966 0.889 . . . . 15.0 109.809 -174.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -119.74 148.12 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 113.966 -1.47 . . . . 15.0 107.499 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 9.8 mtpm? -67.03 116.08 32.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 117.763 0.256 . . . . 15.0 111.482 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -68.38 113.43 3.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.45 2.1 . . . . 15.0 111.322 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.331 -176.192 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.527 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 32.4 m95 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 108.957 -0.757 . . . . 15.0 108.957 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.634 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.5 m -89.74 97.16 11.03 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -90.23 90.42 8.08 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.913 -0.773 . . . . 15.0 108.913 173.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 28.0 ttt180 -116.11 122.26 44.58 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.771 -0.65 . . . . 15.0 109.813 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.931 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.63 118.56 29.34 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.625 179.037 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.7 p -89.74 150.1 22.45 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.45 -0.795 . . . . 15.0 110.094 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.83 -0.74 2.38 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.415 0.524 . . . . 15.0 112.415 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 21.0 t70 -88.39 -4.61 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.585 0.707 . . . . 15.0 109.802 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 30.92 11.7 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.604 -0.725 . . . . 15.0 111.842 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.2 mttm -119.36 115.1 23.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 15.0 110.82 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.8 p -90.04 94.24 9.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 170.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 34.4 p90 -89.85 141.86 28.24 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 119.878 -0.729 . . . . 15.0 110.013 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.634 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.1 m-85 -111.25 101.58 10.06 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -89.06 113.0 24.08 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.921 0.867 . . . . 15.0 109.007 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.057 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -90.07 134.22 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.019 -1.446 . . . . 15.0 112.067 -173.122 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -6.25 28.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.705 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.057 ' HB2' HD21 ' A' ' 449' ' ' ASN . 34.4 mmt180 -65.7 -54.13 31.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.102 0.477 . . . . 15.0 110.428 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.855 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.25 0.3 10.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.225 -177.71 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.3 mm? 72.69 40.69 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.476 0.655 . . . . 15.0 109.55 -175.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.855 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -99.73 125.88 45.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.108 -0.951 . . . . 15.0 110.661 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 t -92.18 111.6 23.22 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -132.14 130.75 41.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.651 0.739 . . . . 15.0 109.775 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.605 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.4 m95 -111.16 20.01 17.82 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.375 1.083 . . . . 15.0 109.3 -170.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -112.77 145.43 40.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 113.224 -1.807 . . . . 15.0 107.465 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.21 113.69 19.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 121.129 -0.229 . . . . 15.0 111.18 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.37 130.68 32.9 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.06 2.506 . . . . 15.0 112.448 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.781 -0.645 . . . . 15.0 110.506 179.09 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.656 -0.498 . . . . 15.0 109.656 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.2 m -89.53 100.62 13.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.398 -0.365 . . . . 15.0 110.273 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.3 pt-20 -90.0 90.28 8.07 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.291 171.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 39.3 ttm180 -100.39 121.19 41.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -89.83 105.96 18.15 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.874 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.9 p -89.75 138.54 31.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.97 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.2 10.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.0 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.95 -1.88 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.549 0.69 . . . . 15.0 109.362 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.12 32.82 10.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.305 -0.861 . . . . 15.0 112.334 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -146.98 126.33 13.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.553 0.692 . . . . 15.0 111.429 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -97.75 113.96 25.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.719 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.679 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.8 p90 -98.35 135.13 40.39 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.332 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 436' ' ' THR . 51.5 m-85 -101.57 93.94 5.62 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.659 172.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -89.21 123.07 33.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.684 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 451' ' ' ARG . 6.1 t-20 -109.35 142.89 39.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.675 -1.148 . . . . 15.0 112.595 -172.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -101.55 -4.67 26.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.729 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.603 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 87.2 mtt180 -64.71 -54.85 25.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.179 0.514 . . . . 15.0 111.02 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.3 t -120.51 0.42 10.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.905 -0.588 . . . . 15.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 67.39 69.78 0.37 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.736 0.779 . . . . 15.0 110.039 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.03 132.25 38.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.719 -1.128 . . . . 15.0 110.856 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.461 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 11.6 p -97.8 111.13 23.54 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 171.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 t -122.67 128.23 50.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.395 0.616 . . . . 15.0 109.518 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.679 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 27.6 m95 -112.09 2.37 16.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.898 0.856 . . . . 15.0 110.047 -170.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.89 132.72 46.16 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.359 -1.291 . . . . 15.0 107.959 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.57 119.8 46.87 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.37 118.51 5.39 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.64 2.227 . . . . 15.0 111.785 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.699 -175.037 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 41.0 m95 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.3 m -91.32 100.93 13.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.499 176.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -92.73 90.14 6.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.909 0.862 . . . . 15.0 109.317 170.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.457 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 73.9 ttt180 -90.37 126.85 36.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.512 -0.767 . . . . 15.0 110.066 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -89.75 105.69 17.97 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.393 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 57.6 p -89.52 143.93 26.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.069 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.07 28.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.988 0.423 . . . . 15.0 111.124 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.0 -5.93 29.86 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.36 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.56 35.93 9.03 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.894 -0.594 . . . . 15.0 112.404 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -142.06 125.09 16.23 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.912 0.387 . . . . 15.0 111.536 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 15.0 109.705 170.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.498 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.4 p90 -96.65 130.88 43.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.344 -0.942 . . . . 15.0 110.16 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 5.4 m-85 -95.94 101.94 13.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.069 175.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.91 114.74 25.86 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 122.086 0.946 . . . . 15.0 108.961 168.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.126 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.2 t-20 -90.39 130.41 36.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.667 -1.606 . . . . 15.0 111.669 -173.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -98.86 -1.91 39.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.126 ' HB2' HD21 ' A' ' 449' ' ' ASN . 30.6 mmt180 -71.27 -50.78 29.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.761 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.975 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.7 OUTLIER -120.08 0.09 10.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 15.0 111.202 -179.575 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.3 mm? 72.89 35.07 1.04 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.586 0.708 . . . . 15.0 109.608 -174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.975 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 41.6 mt-10 -91.55 141.93 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.119 -0.946 . . . . 15.0 111.049 -174.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 25.1 p -93.97 113.24 25.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 p -120.0 117.3 27.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 15.0 110.628 -173.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.498 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 32.6 m95 -116.25 5.26 13.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.822 0.82 . . . . 15.0 110.106 -174.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -109.88 133.84 52.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.655 -1.239 . . . . 15.0 107.655 165.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -60.25 117.76 27.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 112.254 0.465 . . . . 15.0 112.254 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -59.17 140.44 94.94 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.152 2.568 . . . . 15.0 112.839 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.519 0.676 . . . . 15.0 109.469 176.163 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.585 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 67.2 m95 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.0 m -89.89 92.98 9.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.769 0.318 . . . . 15.0 110.401 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.6 pt-20 -89.72 92.39 9.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.255 -0.646 . . . . 15.0 109.255 169.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.1 ttm180 -97.57 116.04 29.02 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.84 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -90.05 101.79 14.5 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 2.1 t -89.68 146.96 24.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.477 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.39 -3.37 8.11 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.516 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -73.07 -6.05 43.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.752 0.787 . . . . 15.0 109.573 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.7 25.8 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.368 -0.833 . . . . 15.0 112.747 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 60.0 mttp -127.13 125.6 41.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.671 -0.412 . . . . 15.0 111.265 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.85 90.09 4.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.549 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 38.9 p90 -90.46 139.05 31.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.456 0.646 . . . . 15.0 110.774 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 16.9 m-85 -103.36 98.27 8.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.835 -1.075 . . . . 15.0 109.785 176.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.89 120.24 30.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.038 0.923 . . . . 15.0 109.426 169.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.11 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -93.03 136.9 32.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.012 -1.449 . . . . 15.0 111.94 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.03 -5.38 24.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.947 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.11 ' HB2' HD21 ' A' ' 449' ' ' ASN . 54.9 mtp180 -73.68 -48.66 30.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.072 0.397 . . . . 15.0 112.072 -177.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.47 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.32 -0.13 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 15.0 110.956 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 mm? 65.66 71.62 0.42 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.454 0.645 . . . . 15.0 109.446 -171.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.47 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 43.2 mt-10 -133.4 136.05 45.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 15.0 110.33 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.486 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 8.4 p -93.07 115.21 27.89 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.377 -0.601 . . . . 15.0 109.377 171.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 4.8 t -127.71 128.66 45.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.665 0.745 . . . . 15.0 109.983 -176.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.1 m95 -114.6 16.23 17.6 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.183 0.992 . . . . 15.0 109.345 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -119.82 129.83 54.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.792 -1.549 . . . . 15.0 108.246 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -60.34 123.79 74.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.719 0.637 . . . . 15.0 112.719 -170.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.88 123.47 12.32 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.762 2.308 . . . . 15.0 111.891 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 15.0 111.975 -174.277 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 96.9 m95 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.0 m -89.59 97.75 11.38 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 109.617 -0.512 . . . . 15.0 109.617 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.88 91.96 8.82 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 107.31 -1.367 . . . . 15.0 107.31 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.544 ' HB3' ' CE2' ' A' ' 446' ' ' TYR . 26.9 ttt180 -105.09 105.9 16.16 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.221 -1.029 . . . . 15.0 108.221 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -90.09 101.43 14.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.107 -0.951 . . . . 15.0 110.666 -171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.6 p -89.7 135.59 33.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.595 -0.729 . . . . 15.0 110.895 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.38 14.68 0.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 15.0 112.377 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.87 4.04 31.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 15.0 109.183 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.28 8.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.284 -0.871 . . . . 15.0 112.044 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 128.37 12.19 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.973 0.416 . . . . 15.0 111.289 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -104.13 130.02 51.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.236 -0.653 . . . . 15.0 109.236 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.546 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 27.4 p90 -121.59 134.67 55.01 Favored 'General case' 0 CA--C 1.502 -0.865 0 C-N-CA 120.066 -0.653 . . . . 15.0 111.358 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.9 m-85 -108.53 89.6 3.04 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.87 176.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HB ' ' A' ' 436' ' ' THR . 20.1 t80 -89.53 129.83 35.94 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.675 0.75 . . . . 15.0 112.062 170.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.519 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 52.0 t-20 -140.19 149.56 43.1 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.841 -1.072 . . . . 15.0 108.832 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.537 ' HA ' HD22 ' A' ' 453' ' ' LEU . 27.3 m-80 -87.42 -1.33 57.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.314 0.578 . . . . 15.0 109.462 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -67.11 -31.81 72.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.832 171.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.2 p -120.14 -16.2 8.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.794 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mm? 60.42 29.13 18.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.523 0.678 . . . . 15.0 110.012 -167.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.02 133.36 55.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.079 -0.964 . . . . 15.0 111.156 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 9.3 t -89.77 111.36 22.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.775 -1.195 . . . . 15.0 107.775 167.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 27.9 p -93.07 124.09 36.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.33 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -107.21 0.88 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.044 0.926 . . . . 15.0 109.073 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.39 133.18 53.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.633 -1.617 . . . . 15.0 106.633 163.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.85 122.83 79.25 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 112.703 0.631 . . . . 15.0 112.703 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.08 135.57 59.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.144 2.563 . . . . 15.0 111.388 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.583 -172.635 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.407 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 37.9 m95 . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.339 -0.615 . . . . 15.0 109.339 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.8 m -89.79 97.36 11.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.24 97.23 11.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.311 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.562 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.4 ttt180 -128.19 115.36 18.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.394 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -91.67 114.77 27.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.682 0.753 . . . . 15.0 111.266 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.9 p -89.67 140.63 29.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.436 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.37 6.5 0.77 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.108 0.781 . . . . 15.0 113.108 -171.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.73 -4.48 49.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.626 0.727 . . . . 15.0 109.955 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 24.84 28.12 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.569 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.815 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 5.1 ptpp? -135.82 134.45 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.113 0.483 . . . . 15.0 110.091 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.6 m -113.3 114.31 26.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.972 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.778 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 22.5 p90 -97.23 124.99 41.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 119.914 -0.714 . . . . 15.0 111.003 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.0 m-85 -98.64 94.49 6.68 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.128 -0.942 . . . . 15.0 108.873 170.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -88.91 121.5 31.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.011 0.91 . . . . 15.0 110.311 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.808 HD22 ' H ' ' A' ' 452' ' ' THR . 3.3 t30 -106.75 142.05 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.093 -1.412 . . . . 15.0 112.329 -173.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -102.95 -3.68 25.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.782 -0.644 . . . . 15.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.475 ' HA ' ' HD2' ' A' ' 451' ' ' ARG . 24.1 mmm180 -67.91 -55.7 11.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.907 0.384 . . . . 15.0 111.296 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 454' ' ' GLU . 6.0 t -120.11 0.5 10.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.2 mm? 69.16 71.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.43 0.634 . . . . 15.0 110.691 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 452' ' ' THR . 24.7 mt-10 -136.0 141.45 44.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.283 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 52.6 p -100.38 109.4 21.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.595 -0.891 . . . . 15.0 108.595 168.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.4 p -101.7 111.1 23.24 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.974 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.815 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 35.8 m95 -100.0 -7.31 25.24 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.192 0.996 . . . . 15.0 108.401 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -102.48 134.11 46.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.545 -1.661 . . . . 15.0 106.671 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -59.98 123.62 73.08 Favored Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -54.83 123.33 13.48 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.666 2.244 . . . . 15.0 110.867 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.434 -0.348 . . . . 15.0 111.869 -173.331 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.473 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 57.7 m95 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.371 -0.603 . . . . 15.0 109.371 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.0 m -90.51 100.74 13.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.88 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -90.04 94.06 9.64 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.583 -0.895 . . . . 15.0 108.583 169.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.46 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 35.7 ttt180 -105.0 118.13 35.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.92 108.51 19.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.555 -0.748 . . . . 15.0 109.96 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.594 ' OG1' ' HG3' ' A' ' 444' ' ' LYS . 35.2 p -89.71 149.96 22.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.88 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.33 40.23 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.396 0.888 . . . . 15.0 113.396 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.06 -11.97 45.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.48 0.657 . . . . 15.0 110.734 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.22 24.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.974 -0.632 . . . . 15.0 111.547 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.702 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.6 ptpp? -120.95 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.358 0.599 . . . . 15.0 110.663 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 113.58 25.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.171 174.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 29.7 p90 -105.52 139.09 40.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.727 -0.789 . . . . 15.0 110.551 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 41.2 m-85 -105.4 103.54 13.09 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.029 -0.987 . . . . 15.0 109.578 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.75 118.15 28.24 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 122.071 0.939 . . . . 15.0 109.59 169.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.02 HD21 ' HB2' ' A' ' 451' ' ' ARG . 4.3 t-20 -92.88 131.47 37.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.951 -1.477 . . . . 15.0 111.314 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.96 -2.26 27.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.651 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.02 ' HB2' HD21 ' A' ' 449' ' ' ASN . 18.1 mmt180 -66.13 -52.28 50.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.866 0.365 . . . . 15.0 111.176 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.521 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.8 OUTLIER -120.11 0.05 10.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.63 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.1 mm? 67.11 74.99 0.32 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.765 0.793 . . . . 15.0 109.579 -168.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.7 mt-10 -132.62 125.49 30.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.885 -1.052 . . . . 15.0 110.183 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 t -89.86 112.75 24.19 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.095 -1.076 . . . . 15.0 108.095 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.3 t -129.38 125.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.92 0.867 . . . . 15.0 109.939 -173.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.702 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 28.1 m95 -114.88 20.14 15.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.353 1.073 . . . . 15.0 109.522 -168.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.03 146.15 41.55 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.531 -1.668 . . . . 15.0 107.919 167.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -69.72 120.92 80.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.842 0.354 . . . . 15.0 111.446 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -45.43 133.19 12.57 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.154 3.236 . . . . 15.0 113.694 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.791 -174.528 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.2 m95 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 108.856 -0.794 . . . . 15.0 108.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.732 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 53.3 m -89.91 100.64 13.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 15.0 111.481 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.74 93.51 9.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.073 -0.967 . . . . 15.0 108.496 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -110.78 113.03 25.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 10.4 ptmm? -91.97 108.04 19.64 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.407 -175.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.3 p -89.69 144.3 26.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.894 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.39 9.68 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.227 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.39 0.4 25.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 15.0 109.626 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.35 24.08 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.885 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.632 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.4 ptpp? -150.07 133.98 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.003 0.43 . . . . 15.0 111.056 -175.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -105.39 117.74 34.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.678 176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 16.6 p90 -105.31 126.71 52.41 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.977 -0.689 . . . . 15.0 110.855 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.732 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -98.56 89.75 4.51 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.001 -1.0 . . . . 15.0 108.744 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.54 ' O ' ' HB ' ' A' ' 436' ' ' THR . 8.3 t80 -89.09 123.03 33.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.768 0.794 . . . . 15.0 109.811 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.792 HD21 ' HB2' ' A' ' 451' ' ' ARG . 2.4 t-20 -119.88 139.82 51.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.546 -1.206 . . . . 15.0 112.101 -172.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.431 ' HA ' HD22 ' A' ' 453' ' ' LEU . 3.8 t30 -91.72 -12.75 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.062 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.792 ' HB2' HD21 ' A' ' 449' ' ' ASN . 14.5 mmt180 -60.03 -48.04 83.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.677 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 454' ' ' GLU . 5.3 t -120.27 0.1 10.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.746 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 450' ' ' ASN . 2.9 mm? 65.36 35.53 7.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.149 0.499 . . . . 15.0 111.062 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.424 ' HB2' HG23 ' A' ' 452' ' ' THR . 12.8 mt-10 -102.69 134.1 46.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.069 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.824 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 2.7 p -93.35 102.27 14.52 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.26 -0.882 . . . . 15.0 108.781 168.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 29.4 p -99.53 121.74 41.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.844 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.824 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 43.1 m95 -108.08 -0.32 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.856 0.836 . . . . 15.0 109.53 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.98 136.66 49.65 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.012 -1.477 . . . . 15.0 107.012 163.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -59.93 123.15 70.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.252 0.345 . . . . 15.0 111.473 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -45.5 137.0 11.73 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.721 2.948 . . . . 15.0 112.961 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.041 0.448 . . . . 15.0 110.422 -177.344 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 57.8 m95 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.695 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.9 m -89.93 105.34 17.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 15.0 111.302 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.653 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 3.9 pt-20 -89.86 90.04 8.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.581 0.705 . . . . 15.0 109.864 171.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.409 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -93.91 108.17 19.99 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.565 -0.902 . . . . 15.0 108.565 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 445' ' ' THR . 7.9 ptpp? -89.92 104.1 16.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.86 0.838 . . . . 15.0 110.608 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 150.24 22.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.537 -1.211 . . . . 15.0 110.326 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.08 12.1 0.6 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.421 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.0 -4.71 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.81 9.49 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.985 -1.007 . . . . 15.0 111.943 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -144.11 120.81 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 15.0 111.859 -175.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.4 p -89.84 93.5 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.485 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.602 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 19.6 p90 -96.27 133.16 40.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.762 -0.775 . . . . 15.0 111.138 -176.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -102.81 95.96 6.53 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.787 -1.097 . . . . 15.0 109.628 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -89.06 127.72 35.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.771 0.796 . . . . 15.0 109.308 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.6 HD21 ' HG2' ' A' ' 451' ' ' ARG . 2.4 t-20 -121.9 140.59 52.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.225 -1.352 . . . . 15.0 111.794 -170.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -93.6 -8.53 40.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.724 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.1 mmm180 -60.94 -50.54 72.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.895 0.379 . . . . 15.0 110.687 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -120.06 0.06 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.03 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 65.95 34.06 7.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.48 0.657 . . . . 15.0 109.738 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.26 135.42 47.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.699 -1.137 . . . . 15.0 110.921 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.531 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 50.5 p -99.26 110.7 23.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.406 -0.59 . . . . 15.0 109.406 172.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 37.0 p -99.81 112.82 25.05 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.687 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.602 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 41.8 m95 -98.29 6.15 47.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.572 1.177 . . . . 15.0 108.508 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.5 132.58 55.63 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 112.988 -1.914 . . . . 15.0 106.996 161.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -63.77 116.72 28.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 111.858 0.318 . . . . 15.0 111.858 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.67 125.85 18.95 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.873 2.382 . . . . 15.0 112.41 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 4.7 pm0 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 15.0 112.06 -175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.4 m95 . . . . . 0 C--O 1.231 0.108 0 N-CA-C 109.848 -0.427 . . . . 15.0 109.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 63.1 m -92.0 103.97 16.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.647 -0.251 . . . . 15.0 110.483 176.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -91.78 89.93 7.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.785 0.802 . . . . 15.0 109.035 174.342 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -102.41 120.87 41.24 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.154 -0.618 . . . . 15.0 110.399 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.06 108.27 19.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.353 -0.84 . . . . 15.0 108.755 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.0 p -89.63 150.0 22.57 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.844 -0.617 . . . . 15.0 110.638 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.58 40.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.791 -0.64 . . . . 15.0 112.082 -173.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.87 -7.68 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.504 0.668 . . . . 15.0 109.639 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 32.94 9.21 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.592 -0.731 . . . . 15.0 112.092 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -122.03 115.06 21.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.327 -0.249 . . . . 15.0 110.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 95.58 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.884 -0.784 . . . . 15.0 108.884 170.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.7 p90 -101.03 135.46 42.45 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.548 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.2 m-85 -101.01 99.49 9.95 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.711 -1.131 . . . . 15.0 109.288 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -89.09 118.64 28.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.669 0.747 . . . . 15.0 109.848 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.792 HD22 ' H ' ' A' ' 452' ' ' THR . 2.1 t30 -90.05 137.41 32.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.328 -1.305 . . . . 15.0 112.304 -173.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.94 -0.09 27.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.813 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 451' ' ' ARG . 4.7 mtm-85 -68.83 -61.36 1.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.416 0.627 . . . . 15.0 110.783 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.792 ' H ' HD22 ' A' ' 449' ' ' ASN . 0.2 OUTLIER -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.834 . . . . 15.0 110.958 -173.075 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.9 mm? 71.2 74.95 0.18 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.51 -172.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 38.0 mt-10 -133.9 128.3 34.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 15.0 110.088 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.1 t -93.49 110.42 22.0 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.016 -0.735 . . . . 15.0 109.016 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.0 p -116.49 113.56 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 15.0 110.421 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 27.4 m95 -107.06 8.85 30.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.364 1.078 . . . . 15.0 109.36 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.94 150.12 25.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.109 -1.86 . . . . 15.0 107.836 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -71.35 115.2 34.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.13 130.55 24.48 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.503 2.136 . . . . 15.0 111.698 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.512 0.672 . . . . 15.0 110.051 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 54.8 m95 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.015 -0.365 . . . . 15.0 110.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.692 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.7 m -89.94 96.68 10.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.431 -0.349 . . . . 15.0 110.341 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -90.39 91.55 8.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.506 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.1 ttt180 -122.29 116.38 23.99 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 -177.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 120.22 39.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.909 0.861 . . . . 15.0 110.568 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.3 p -89.61 139.27 30.71 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.224 -0.898 . . . . 15.0 109.899 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.47 2.65 2.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.142 0.496 . . . . 15.0 111.301 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.54 -7.61 45.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.495 0.664 . . . . 15.0 110.023 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 29.87 13.4 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.479 -0.782 . . . . 15.0 112.5 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.768 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.5 ptpp? -144.19 127.45 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 15.0 111.001 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.2 m -96.39 128.83 43.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.796 -0.638 . . . . 15.0 109.826 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 20.7 p90 -119.54 136.87 54.16 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.048 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.692 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -107.1 98.66 8.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 114.892 -1.049 . . . . 15.0 109.341 173.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.23 118.26 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.132 0.967 . . . . 15.0 109.994 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 1.021 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -96.7 133.85 40.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.044 -1.435 . . . . 15.0 112.157 -172.289 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -97.95 -3.76 37.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.812 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.021 ' HB2' HD21 ' A' ' 449' ' ' ASN . 31.7 mtp180 -70.86 -50.24 37.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.745 0.307 . . . . 15.0 111.511 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . 1.041 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 1.5 m -120.19 0.0 10.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.524 -0.307 . . . . 15.0 110.846 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.5 mm? 73.36 35.99 0.85 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.53 0.681 . . . . 15.0 109.522 -172.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 1.041 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.0 mt-10 -93.39 124.59 37.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.947 . . . . 15.0 110.84 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.0 t -90.63 114.52 26.81 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 t -127.69 125.0 39.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.59 0.71 . . . . 15.0 109.847 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.768 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 24.3 m95 -109.63 11.32 24.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.329 1.062 . . . . 15.0 109.207 -171.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -111.68 135.4 52.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.507 164.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -61.13 121.55 63.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 111.888 0.329 . . . . 15.0 111.888 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.17 124.96 11.09 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.636 2.89 . . . . 15.0 112.863 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.124 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.786 0.327 . . . . 15.0 110.559 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.06 -7.92 59.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 15.0 111.56 -168.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.726 ' HD1' ' HG ' ' A' ' 463' ' ' LEU . 43.9 m95 -90.02 134.07 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.413 -0.588 . . . . 15.0 109.413 -177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.7 m -89.74 104.42 16.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 15.0 110.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.8 pt-20 -90.12 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.738 -1.119 . . . . 15.0 109.239 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.555 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.5 ttt180 -115.04 113.47 24.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.417 -0.81 . . . . 15.0 109.662 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -89.71 98.61 11.87 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.906 0.86 . . . . 15.0 110.113 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 37.2 p -89.94 147.18 23.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.78 -1.1 . . . . 15.0 111.903 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.29 -1.32 2.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.107 -0.952 . . . . 15.0 111.427 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.77 -10.4 36.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 15.0 109.697 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.48 27.06 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.334 -0.848 . . . . 15.0 111.839 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -145.93 138.24 25.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 15.0 110.793 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 104.82 16.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.683 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 3.3 p90 -97.13 141.46 30.24 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.488 -0.885 . . . . 15.0 111.197 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.3 m-85 -109.44 89.71 3.08 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.12 -0.946 . . . . 15.0 108.663 170.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -90.01 134.65 34.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.169 0.509 . . . . 15.0 111.567 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t-20 -138.77 146.98 42.05 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.137 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.07 2.35 54.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.172 -0.922 . . . . 15.0 108.95 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.56 -50.28 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.14 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.3 p -120.36 0.27 10.54 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.118 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.9 mm? 66.26 27.21 10.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.397 0.617 . . . . 15.0 109.628 -170.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 45.0 mt-10 -103.87 149.76 24.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.589 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.6 p -116.73 113.88 23.22 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.566 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 43.3 p -94.29 106.92 18.89 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.977 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.683 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 28.4 m95 -91.44 1.19 57.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.081 0.943 . . . . 15.0 108.807 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -112.45 137.98 49.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 113.979 -1.464 . . . . 15.0 107.763 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 60.5 mttp -71.45 114.96 32.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -171.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 14.0 Cg_exo -69.6 151.84 70.03 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.961 2.441 . . . . 15.0 112.64 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -86.2 -30.95 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.114 -0.493 . . . . 15.0 110.407 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.91 17.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.974 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.726 ' HG ' ' HD1' ' A' ' 435' ' ' TRP . 9.8 tt -68.02 -32.55 73.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.274 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.631 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.19 -0.909 . . . . 15.0 110.655 -176.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 110.123 -0.325 . . . . 15.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.558 ' HA ' ' OD1' ' A' ' 450' ' ' ASN . 8.6 mm-40 -80.19 -20.75 44.02 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.204 0.526 . . . . 15.0 110.094 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.503 ' CD1' HD13 ' A' ' 463' ' ' LEU . 55.3 m95 -124.33 110.3 14.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.033 175.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 83.2 m -89.85 98.54 11.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.849 -0.34 . . . . 15.0 110.357 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.35 90.21 7.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.552 -0.907 . . . . 15.0 108.552 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.565 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -105.96 115.89 31.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.466 0.651 . . . . 15.0 109.927 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 445' ' ' THR . 2.9 ptpt -91.15 109.07 20.32 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.552 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 61.6 p -89.64 150.15 22.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.652 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.8 21.28 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.55 -3.88 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 15.0 109.795 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.1 26.74 27.82 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.508 -0.769 . . . . 15.0 112.009 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -128.34 118.67 23.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.178 0.513 . . . . 15.0 111.445 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.6 p -92.07 99.8 12.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.353 -0.839 . . . . 15.0 110.026 173.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.565 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 39.2 p90 -92.82 137.14 32.62 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.856 -0.738 . . . . 15.0 110.204 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.677 ' HA ' ' O ' ' A' ' 436' ' ' THR . 11.5 m-85 -105.93 97.91 7.66 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.732 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -89.08 120.73 30.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.098 0.951 . . . . 15.0 109.377 170.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.893 HD22 ' H ' ' A' ' 452' ' ' THR . 0.8 OUTLIER -108.0 137.69 45.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.559 -173.139 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.558 ' OD1' ' HA ' ' A' ' 434' ' ' GLU . 30.9 p-10 -95.35 -12.24 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 15.0 111.317 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -62.51 -47.23 84.85 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.165 0.507 . . . . 15.0 110.609 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . 1.037 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.6 OUTLIER -120.38 0.44 10.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.019 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.0 mm? 67.16 31.65 6.6 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.451 0.643 . . . . 15.0 109.978 -173.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 1.037 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -92.56 125.2 37.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.913 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 t -92.35 104.46 16.8 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.792 -1.188 . . . . 15.0 107.792 170.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -120.16 131.27 54.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.594 0.712 . . . . 15.0 109.973 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 24.2 m95 -113.47 15.22 19.11 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 122.357 1.075 . . . . 15.0 108.718 -170.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.95 132.75 53.77 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.3 -1.773 . . . . 15.0 108.361 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -66.8 115.21 22.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 123.393 0.433 . . . . 15.0 112.048 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.94 132.52 52.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.588 2.859 . . . . 15.0 112.812 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -98.19 -8.55 27.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.965 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.07 -3.12 58.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.263 0.554 . . . . 15.0 109.909 173.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 435' ' ' TRP . 52.4 tp -94.48 -2.47 51.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.541 174.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.58 -0.736 . . . . 15.0 109.378 178.585 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.634 0.254 . . . . 15.0 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.653 ' HG3' HD21 ' A' ' 449' ' ' ASN . 12.7 tp10 -71.91 -48.92 42.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 15.0 111.363 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -91.2 150.22 21.45 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.841 -174.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.709 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 40.5 m -89.71 103.68 16.31 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.378 -0.529 . . . . 15.0 109.99 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.635 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -89.76 89.71 7.89 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.965 0.888 . . . . 15.0 108.723 173.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.486 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 75.3 ttt180 -95.79 112.61 24.29 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.297 -0.865 . . . . 15.0 109.801 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.91 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.62 107.13 18.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.129 -0.942 . . . . 15.0 109.775 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.7 p -89.5 147.46 23.97 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.37 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.86 -14.42 45.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.17 -173.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -5.25 35.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.266 0.555 . . . . 15.0 110.698 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 21.99 36.9 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.614 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -113.59 111.34 21.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.805 0.336 . . . . 15.0 110.602 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 p -95.62 115.42 27.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.15 173.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 23.8 p90 -121.93 140.33 52.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.145 -0.622 . . . . 15.0 110.669 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.709 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.6 m-85 -105.26 89.68 3.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.442 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.464 ' O ' ' HB ' ' A' ' 436' ' ' THR . 13.7 t80 -89.72 132.19 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.036 0.446 . . . . 15.0 110.699 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.653 HD21 ' HG3' ' A' ' 434' ' ' GLU . 38.0 t-20 -141.4 148.67 39.98 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.039 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD22 ' A' ' 453' ' ' LEU . 11.5 m120 -87.22 3.27 47.24 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.282 -176.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HA ' ' HE ' ' A' ' 451' ' ' ARG . 8.7 mmp_? -59.56 -52.96 63.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.076 -0.965 . . . . 15.0 110.192 173.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 454' ' ' GLU . 2.6 t -120.49 0.42 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.161 176.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.2 mm? 65.36 30.99 10.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.321 0.581 . . . . 15.0 110.395 -175.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 452' ' ' THR . 6.3 mm-40 -117.29 147.11 42.87 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.211 -0.904 . . . . 15.0 110.394 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.4 p -110.09 115.98 30.74 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.821 -0.627 . . . . 15.0 109.801 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.1 p -95.44 110.5 22.54 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.45 -0.795 . . . . 15.0 109.565 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 33.8 m95 -93.51 -1.04 56.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.849 0.833 . . . . 15.0 109.327 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -111.52 143.02 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.299 -1.319 . . . . 15.0 108.03 164.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 9.0 mtpm? -61.13 114.85 11.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 123.161 0.288 . . . . 15.0 111.531 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -63.86 135.45 48.25 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.633 2.222 . . . . 15.0 112.995 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.563 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 3.3 pm0 -70.76 -12.39 61.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.813 177.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.77 -17.56 58.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.286 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.5 tp -120.05 -32.91 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.985 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 10.0 mtpm? . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.258 -0.877 . . . . 15.0 110.945 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.2 0.524 . . . . 15.0 110.666 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -25.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.998 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.523 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 53.0 m95 -106.59 101.85 11.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 171.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.741 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 60.3 m -89.98 99.66 12.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.659 -0.417 . . . . 15.0 110.553 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -89.85 91.24 8.53 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.3 -1.0 . . . . 15.0 108.3 172.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.521 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 53.9 ttt180 -108.65 112.25 24.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.507 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 30.1 ttmt -90.93 108.2 19.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 15.0 110.113 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.66 149.97 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.478 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.53 0.19 13.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 111.127 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.67 -0.9 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.552 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.05 27.41 40.91 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.509 -0.768 . . . . 15.0 111.334 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -126.71 121.03 30.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.742 0.306 . . . . 15.0 110.497 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -103.46 93.09 4.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 25.0 p90 -92.83 126.52 37.95 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 119.285 -0.966 . . . . 15.0 110.927 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.741 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -97.07 101.4 12.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.77 -1.105 . . . . 15.0 108.266 171.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -88.76 116.43 27.02 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.976 0.893 . . . . 15.0 109.413 172.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.008 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.4 t-20 -89.9 123.48 33.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.857 -1.52 . . . . 15.0 110.969 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -94.14 -8.33 39.8 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.214 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.008 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.1 mmm-85 -65.35 -49.48 69.22 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.216 0.532 . . . . 15.0 110.7 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.4 m -120.02 0.22 10.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.202 -177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.6 mm? 70.42 32.69 2.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.489 0.661 . . . . 15.0 109.84 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 9.7 mm-40 -95.65 132.13 41.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.674 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.751 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 33.3 p -89.92 111.78 22.95 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 173.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 2.7 p -115.48 113.71 24.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.02 -174.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.751 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 24.0 m95 -107.72 14.38 25.63 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 122.772 1.273 . . . . 15.0 108.369 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -113.96 150.03 34.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 112.508 -2.133 . . . . 15.0 107.376 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.04 120.37 73.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 15.0 111.367 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 125.25 18.47 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.188 2.592 . . . . 15.0 112.154 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -87.62 -17.22 32.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.676 -175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.0 0.429 . . . . 15.0 110.566 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.6 tp -95.35 -3.23 47.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.187 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.797 -0.621 . . . . 15.0 110.241 -179.087 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.907 0.384 . . . . 15.0 110.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.493 ' CG ' HD21 ' A' ' 449' ' ' ASN . 1.6 pm0 -79.56 -6.48 57.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.207 -0.452 . . . . 15.0 112.158 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.45 ' HB2' HD13 ' A' ' 463' ' ' LEU . 78.6 m95 -89.63 110.99 21.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.953 -0.758 . . . . 15.0 108.953 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.815 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 43.9 m -90.01 105.74 18.01 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.953 -0.299 . . . . 15.0 111.197 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 54.9 tt0 -89.85 93.04 9.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.367 1.042 . . . . 15.0 108.48 169.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.496 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.5 ttt180 -102.24 126.65 49.29 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.019 -0.734 . . . . 15.0 109.019 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -89.79 111.89 23.03 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.373 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.5 p -89.64 149.65 22.71 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.381 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.91 -4.65 7.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.732 -0.667 . . . . 15.0 112.218 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.08 -6.54 53.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 15.0 109.944 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.79 27.91 20.31 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.677 -0.692 . . . . 15.0 111.538 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -132.21 120.36 22.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 15.0 111.622 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.568 ' HB ' ' HG3' ' A' ' 437' ' ' GLU . 13.2 p -89.9 106.8 18.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 15.0 109.606 172.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.566 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.1 p90 -96.15 124.99 40.37 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 119.982 -0.687 . . . . 15.0 110.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.815 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.8 m-85 -95.69 89.54 5.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.327 -0.619 . . . . 15.0 109.327 174.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.84 127.66 36.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.161 0.505 . . . . 15.0 109.966 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.493 HD21 ' CG ' ' A' ' 434' ' ' GLU . 46.8 t-20 -134.61 144.21 47.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 15.0 110.034 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -85.73 -2.34 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 15.0 109.597 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 33.2 mmt180 -59.66 -47.37 85.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.422 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 4.9 p -120.17 -1.62 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.555 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 61.35 24.91 14.95 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.54 0.686 . . . . 15.0 109.961 -171.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 52.1 mm-40 -108.87 148.54 30.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.96 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 51.0 p -113.66 116.17 29.03 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.233 -0.894 . . . . 15.0 109.362 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 76.8 p -100.49 124.38 45.95 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.794 -0.817 . . . . 15.0 108.794 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 34.0 m95 -104.04 11.14 35.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.415 1.102 . . . . 15.0 109.166 -173.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -120.0 143.4 48.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.254 -1.794 . . . . 15.0 107.383 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.659 ' HG2' ' OH ' ' A' ' 447' ' ' TYR . 64.9 mttm -59.92 113.7 7.93 Favored Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 117.944 0.338 . . . . 15.0 111.366 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.11 134.16 19.04 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.553 2.169 . . . . 15.0 111.919 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.77 -8.89 59.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.23 0.538 . . . . 15.0 110.351 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -79.46 -7.5 58.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.225 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 435' ' ' TRP . 45.5 tp -81.69 -7.49 59.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 15.0 110.032 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 16.5 ttpp . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.791 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.176 0.512 . . . . 15.0 110.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.26 23.33 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.526 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 10.8 m95 -121.74 111.62 17.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.677 -0.692 . . . . 15.0 109.867 -172.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.559 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.8 m -90.11 107.29 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.379 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 7.8 pt-20 -96.43 93.26 6.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.542 0.687 . . . . 15.0 109.766 172.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.574 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 77.7 ttt180 -90.2 113.25 25.01 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.87 -0.789 . . . . 15.0 108.87 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.457 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 3.8 ttmp? -89.96 96.55 10.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.549 0.69 . . . . 15.0 109.696 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.8 p -89.72 146.46 24.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.96 -1.018 . . . . 15.0 111.101 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.72 3.74 2.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.791 -0.641 . . . . 15.0 111.332 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.38 3.51 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.64 0.733 . . . . 15.0 109.519 174.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.53 17.97 65.08 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.558 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -137.33 126.82 25.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.912 0.387 . . . . 15.0 110.714 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.6 m -104.25 99.12 8.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.026 -0.731 . . . . 15.0 109.026 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.574 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 46.5 p90 -89.85 134.2 34.33 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 119.743 -0.783 . . . . 15.0 111.473 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 9.3 m-85 -101.12 94.0 5.76 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.439 174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -88.81 119.0 28.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.912 0.863 . . . . 15.0 108.735 168.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.611 HD21 ' HG3' ' A' ' 451' ' ' ARG . 2.3 t-20 -108.11 142.36 38.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.107 -1.406 . . . . 15.0 112.272 -169.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -94.39 -8.54 38.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 15.0 110.739 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.611 ' HG3' HD21 ' A' ' 449' ' ' ASN . 2.1 mtm180 -60.28 -53.53 56.59 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.207 0.527 . . . . 15.0 110.37 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -119.98 0.18 10.73 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.351 -0.84 . . . . 15.0 111.971 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.7 mm? 70.67 31.97 2.67 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.386 0.612 . . . . 15.0 109.832 -176.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -96.98 135.61 38.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.979 -1.01 . . . . 15.0 111.229 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.0 t -96.23 101.89 13.6 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 t -116.92 136.75 52.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.448 0.642 . . . . 15.0 109.983 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 23.5 m95 -114.56 18.86 16.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.549 1.166 . . . . 15.0 108.565 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -114.13 145.54 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 112.949 -1.932 . . . . 15.0 107.846 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -73.19 110.83 9.51 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 111.796 0.295 . . . . 15.0 111.796 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.05 141.16 56.77 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.094 2.529 . . . . 15.0 113.565 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -67.71 -19.47 65.15 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.443 -0.798 . . . . 15.0 111.666 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.97 -6.73 40.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.017 0.377 . . . . 15.0 112.017 -173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 21.2 tp -108.5 6.16 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.459 . . . . 15.0 110.604 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 53.2 tttm . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.584 -0.722 . . . . 15.0 110.57 -179.699 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 17.6 pt-20 -99.77 -20.26 16.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.822 -175.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 67.8 m95 -118.4 114.21 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 93.7 m -89.85 90.87 8.37 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.461 -0.57 . . . . 15.0 109.461 174.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.99 89.72 7.83 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.552 0.692 . . . . 15.0 109.351 173.383 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.438 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 32.7 ttt180 -93.09 113.83 26.19 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.3 ptpp? -89.71 97.85 11.43 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.754 0.788 . . . . 15.0 110.266 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.4 p -89.56 148.02 23.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.847 -1.07 . . . . 15.0 110.534 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.42 -2.79 9.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.815 -173.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -74.1 1.55 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.434 0.635 . . . . 15.0 109.888 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 28.72 21.05 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.627 -0.715 . . . . 15.0 112.62 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -150.07 128.91 12.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.168 0.508 . . . . 15.0 112.013 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 439' ' ' LYS . 43.5 p -93.11 105.47 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.427 171.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 33.9 p90 -91.6 132.83 36.05 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 119.253 -0.979 . . . . 15.0 110.305 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 5.9 m-85 -104.48 97.76 7.64 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.922 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.99 123.1 33.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 15.0 109.332 167.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.865 ' ND2' ' H ' ' A' ' 452' ' ' THR . 1.3 t30 -102.14 141.81 34.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.899 -1.5 . . . . 15.0 112.033 -170.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -105.24 -3.92 22.29 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.964 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 93.7 mtt180 -62.0 -56.21 21.41 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.452 0.644 . . . . 15.0 110.214 175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.865 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -120.11 -0.07 10.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 15.0 111.026 -174.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.6 mm? 65.71 75.09 0.36 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.501 0.667 . . . . 15.0 109.434 -171.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.519 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 49.9 mt-10 -128.07 150.0 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.075 -0.966 . . . . 15.0 110.701 -173.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.1 t -114.36 110.14 19.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.332 -0.988 . . . . 15.0 108.332 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -131.9 132.39 43.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.814 0.816 . . . . 15.0 109.594 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -115.3 17.16 16.69 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.503 1.144 . . . . 15.0 109.015 -170.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -120.11 128.71 53.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.135 -1.848 . . . . 15.0 108.102 171.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 7.8 mtpm? -59.79 113.99 8.55 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.284 0.365 . . . . 15.0 111.9 -172.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.6 Cg_endo -58.36 141.97 97.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.24 2.627 . . . . 15.0 112.428 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.25 -17.57 64.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.972 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.04 -26.33 68.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -120.17 79.99 1.54 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.071 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.299 -0.864 . . . . 15.0 109.389 176.229 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.215 0.531 . . . . 15.0 110.358 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 451' ' ' ARG . 3.3 mp0 -95.09 -8.91 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.087 -169.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.63 ' HB2' HD12 ' A' ' 463' ' ' LEU . 16.2 m95 -127.65 109.27 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.087 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.616 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.6 m -90.67 102.51 15.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.356 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.7 pt-20 -90.08 98.87 12.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.733 0.778 . . . . 15.0 109.305 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -123.74 130.91 53.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.943 -1.026 . . . . 15.0 109.287 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -97.65 120.55 38.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.171 0.51 . . . . 15.0 110.508 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.2 p -89.44 150.21 22.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.306 -0.861 . . . . 15.0 109.536 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.53 7.17 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -86.06 -9.26 57.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.537 0.684 . . . . 15.0 109.498 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 42.49 5.25 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.481 -0.781 . . . . 15.0 112.243 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -139.81 128.53 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.742 0.306 . . . . 15.0 111.369 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.1 m -94.28 94.67 8.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.2 p90 -90.55 140.47 29.72 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.78 -0.768 . . . . 15.0 110.627 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.616 ' HA ' ' O ' ' A' ' 436' ' ' THR . 10.7 m-85 -105.42 101.14 10.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.45 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.71 121.24 30.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.324 1.059 . . . . 15.0 109.291 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.025 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -101.31 134.39 44.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.124 -1.853 . . . . 15.0 111.528 -174.452 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -100.97 -0.93 35.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.761 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.025 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.8 mmp_? -64.08 -53.1 54.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.411 0.624 . . . . 15.0 110.056 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.4 m -120.1 0.28 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.835 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 72.16 29.18 2.33 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.622 0.725 . . . . 15.0 109.197 -174.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.764 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 mm-40 -90.44 119.5 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.776 -1.102 . . . . 15.0 110.854 -174.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 106.56 18.56 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.376 -0.972 . . . . 15.0 108.376 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -120.31 134.04 55.34 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.576 0.703 . . . . 15.0 109.702 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.2 m95 -114.25 14.69 18.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 122.247 1.023 . . . . 15.0 109.556 -169.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 138.62 45.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.823 -1.535 . . . . 15.0 107.643 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.74 113.13 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.191 0.441 . . . . 15.0 112.191 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.15 128.31 8.95 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.762 2.308 . . . . 15.0 111.729 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -82.52 -4.7 57.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 15.0 110.609 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.445 ' OE1' ' HZ2' ' A' ' 435' ' ' TRP . 31.8 tt0 -75.02 -4.68 39.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.935 0.398 . . . . 15.0 111.159 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 435' ' ' TRP . 1.6 tt -94.54 -28.8 15.23 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.528 -0.545 . . . . 15.0 109.528 177.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.478 -0.772 . . . . 15.0 110.613 -172.252 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.669 0.271 . . . . 15.0 110.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.485 ' HG3' ' HD2' ' A' ' 451' ' ' ARG . 2.4 pm0 -78.06 -20.62 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 15.0 109.676 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.443 ' HZ2' ' NH1' ' A' ' 451' ' ' ARG . 57.4 m95 -90.33 111.58 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.392 -0.966 . . . . 15.0 108.392 173.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.733 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 48.6 m -89.58 105.34 17.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.563 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 7.2 pt-20 -89.91 89.95 7.96 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 122.006 0.908 . . . . 15.0 108.632 170.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -92.65 118.94 31.57 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.364 -0.976 . . . . 15.0 108.364 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.665 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -90.06 111.2 22.23 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.994 0.902 . . . . 15.0 109.779 -175.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.2 p -89.62 147.56 23.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.463 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.18 -13.17 57.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.43 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.99 -3.25 38.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.383 0.611 . . . . 15.0 110.222 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 33.2 9.11 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.604 -0.726 . . . . 15.0 112.333 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -126.88 111.28 13.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.905 0.383 . . . . 15.0 111.527 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 p -90.1 92.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.819 -0.628 . . . . 15.0 109.533 170.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 14.3 p90 -96.76 130.04 44.08 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.421 -0.512 . . . . 15.0 110.492 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -94.08 89.62 6.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.08 122.04 32.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.443 0.639 . . . . 15.0 109.37 170.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.544 ' OD1' ' HB2' ' A' ' 451' ' ' ARG . 2.3 t-20 -127.49 150.09 49.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.991 -1.004 . . . . 15.0 112.044 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -96.72 -2.55 44.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.693 -1.14 . . . . 15.0 111.524 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 73.9 mtp180 -70.17 -46.57 64.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 15.0 110.589 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.5 p -120.08 -0.03 10.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.293 0.479 . . . . 15.0 112.293 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 62.41 38.33 12.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.329 0.585 . . . . 15.0 110.491 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -118.58 150.03 40.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.507 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 10.9 p -111.23 115.37 29.25 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.803 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.2 p -101.17 116.03 31.88 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.392 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 35.8 m95 -95.51 9.56 39.67 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.966 0.889 . . . . 15.0 109.809 -174.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -119.74 148.12 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 113.966 -1.47 . . . . 15.0 107.499 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.549 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -67.03 116.08 32.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 117.763 0.256 . . . . 15.0 111.482 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -68.38 113.43 3.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.45 2.1 . . . . 15.0 111.322 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.43 0.34 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.331 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -24.28 63.78 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.265 -1.013 . . . . 15.0 108.265 171.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 464' ' ' LYS . 36.0 tp -88.8 -73.5 0.5 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.957 -1.127 . . . . 15.0 107.957 169.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 464' ' ' LYS . 38.9 tptt . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.305 -0.861 . . . . 15.0 109.672 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.548 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 -89.87 -9.25 49.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.825 0.345 . . . . 15.0 111.11 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.873 ' CD1' ' HG ' ' A' ' 463' ' ' LEU . 32.4 m95 -121.18 117.89 28.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.957 -0.757 . . . . 15.0 108.957 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.634 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.5 m -89.74 97.16 11.03 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -90.23 90.42 8.08 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.913 -0.773 . . . . 15.0 108.913 173.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 28.0 ttt180 -116.11 122.26 44.58 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.771 -0.65 . . . . 15.0 109.813 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.931 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.63 118.56 29.34 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.625 179.037 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.7 p -89.74 150.1 22.45 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.45 -0.795 . . . . 15.0 110.094 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.83 -0.74 2.38 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.415 0.524 . . . . 15.0 112.415 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 21.0 t70 -88.39 -4.61 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.585 0.707 . . . . 15.0 109.802 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 30.92 11.7 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.604 -0.725 . . . . 15.0 111.842 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.2 mttm -119.36 115.1 23.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 15.0 110.82 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.8 p -90.04 94.24 9.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 170.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 34.4 p90 -89.85 141.86 28.24 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 119.878 -0.729 . . . . 15.0 110.013 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.634 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.1 m-85 -111.25 101.58 10.06 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -89.06 113.0 24.08 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.921 0.867 . . . . 15.0 109.007 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.057 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -90.07 134.22 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.019 -1.446 . . . . 15.0 112.067 -173.122 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -6.25 28.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.705 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.057 ' HB2' HD21 ' A' ' 449' ' ' ASN . 34.4 mmt180 -65.7 -54.13 31.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.102 0.477 . . . . 15.0 110.428 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.855 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.25 0.3 10.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.225 -177.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.3 mm? 72.69 40.69 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.476 0.655 . . . . 15.0 109.55 -175.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.855 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -99.73 125.88 45.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.108 -0.951 . . . . 15.0 110.661 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 t -92.18 111.6 23.22 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -132.14 130.75 41.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.651 0.739 . . . . 15.0 109.775 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.605 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.4 m95 -111.16 20.01 17.82 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.375 1.083 . . . . 15.0 109.3 -170.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -112.77 145.43 40.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 113.224 -1.807 . . . . 15.0 107.465 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.21 113.69 19.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 121.129 -0.229 . . . . 15.0 111.18 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.37 130.68 32.9 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.06 2.506 . . . . 15.0 112.448 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -83.49 -20.59 33.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.781 -0.645 . . . . 15.0 110.506 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.1 pm0 -88.73 8.61 27.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.069 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.873 ' HG ' ' CD1' ' A' ' 435' ' ' TRP . 5.6 tt -71.21 -27.09 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 176.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.6 tttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.638 -0.696 . . . . 15.0 110.018 -179.787 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.767 0.317 . . . . 15.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.55 -26.09 66.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.479 -0.328 . . . . 15.0 111.606 -172.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -118.72 108.55 15.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.656 -0.498 . . . . 15.0 109.656 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.2 m -89.53 100.62 13.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.398 -0.365 . . . . 15.0 110.273 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.3 pt-20 -90.0 90.28 8.07 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.291 171.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 39.3 ttm180 -100.39 121.19 41.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -89.83 105.96 18.15 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.874 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.9 p -89.75 138.54 31.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.97 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.2 10.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.0 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.95 -1.88 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.549 0.69 . . . . 15.0 109.362 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.12 32.82 10.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.305 -0.861 . . . . 15.0 112.334 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -146.98 126.33 13.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.553 0.692 . . . . 15.0 111.429 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -97.75 113.96 25.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.719 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.679 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.8 p90 -98.35 135.13 40.39 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.332 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 436' ' ' THR . 51.5 m-85 -101.57 93.94 5.62 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.659 172.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -89.21 123.07 33.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.684 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 451' ' ' ARG . 6.1 t-20 -109.35 142.89 39.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.675 -1.148 . . . . 15.0 112.595 -172.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -101.55 -4.67 26.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.729 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.603 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 87.2 mtt180 -64.71 -54.85 25.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.179 0.514 . . . . 15.0 111.02 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.3 t -120.51 0.42 10.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.905 -0.588 . . . . 15.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 67.39 69.78 0.37 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.736 0.779 . . . . 15.0 110.039 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.03 132.25 38.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.719 -1.128 . . . . 15.0 110.856 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.461 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 11.6 p -97.8 111.13 23.54 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 171.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 t -122.67 128.23 50.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.395 0.616 . . . . 15.0 109.518 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.679 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 27.6 m95 -112.09 2.37 16.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.898 0.856 . . . . 15.0 110.047 -170.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.89 132.72 46.16 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.359 -1.291 . . . . 15.0 107.959 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.57 119.8 46.87 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.37 118.51 5.39 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.64 2.227 . . . . 15.0 111.785 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -84.43 -3.29 58.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.699 -175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -11.44 59.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 15.0 110.65 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 40.1 tp -82.36 -5.38 58.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.151 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.683 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.933 0.396 . . . . 15.0 110.771 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 0.5 OUTLIER -100.11 -13.32 19.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.572 -0.286 . . . . 15.0 111.425 -176.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 41.0 m95 -109.61 105.6 14.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.3 m -91.32 100.93 13.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.499 176.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -92.73 90.14 6.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.909 0.862 . . . . 15.0 109.317 170.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.457 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 73.9 ttt180 -90.37 126.85 36.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.512 -0.767 . . . . 15.0 110.066 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -89.75 105.69 17.97 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.393 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 57.6 p -89.52 143.93 26.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.069 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.07 28.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.988 0.423 . . . . 15.0 111.124 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.0 -5.93 29.86 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.36 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.56 35.93 9.03 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.894 -0.594 . . . . 15.0 112.404 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -142.06 125.09 16.23 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.912 0.387 . . . . 15.0 111.536 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 15.0 109.705 170.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.498 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.4 p90 -96.65 130.88 43.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.344 -0.942 . . . . 15.0 110.16 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 5.4 m-85 -95.94 101.94 13.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.069 175.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.91 114.74 25.86 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 122.086 0.946 . . . . 15.0 108.961 168.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.126 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.2 t-20 -90.39 130.41 36.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.667 -1.606 . . . . 15.0 111.669 -173.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -98.86 -1.91 39.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.126 ' HB2' HD21 ' A' ' 449' ' ' ASN . 30.6 mmt180 -71.27 -50.78 29.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.761 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.975 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.7 OUTLIER -120.08 0.09 10.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 15.0 111.202 -179.575 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.3 mm? 72.89 35.07 1.04 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.586 0.708 . . . . 15.0 109.608 -174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.975 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 41.6 mt-10 -91.55 141.93 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.119 -0.946 . . . . 15.0 111.049 -174.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 25.1 p -93.97 113.24 25.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 p -120.0 117.3 27.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 15.0 110.628 -173.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.498 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 32.6 m95 -116.25 5.26 13.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.822 0.82 . . . . 15.0 110.106 -174.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -109.88 133.84 52.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.655 -1.239 . . . . 15.0 107.655 165.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -60.25 117.76 27.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 112.254 0.465 . . . . 15.0 112.254 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -59.17 140.44 94.94 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.152 2.568 . . . . 15.0 112.839 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -87.58 -12.44 45.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.519 0.676 . . . . 15.0 109.469 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -70.18 -12.53 61.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.703 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.23 -7.91 40.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.655 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.891 -0.576 . . . . 15.0 110.186 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.828 0.346 . . . . 15.0 110.618 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.606 ' HB3' ' HG3' ' A' ' 451' ' ' ARG . 3.4 mp0 -92.45 -11.3 35.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.144 -171.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.585 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 67.2 m95 -125.71 103.59 7.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.002 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.0 m -89.89 92.98 9.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.769 0.318 . . . . 15.0 110.401 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.6 pt-20 -89.72 92.39 9.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.255 -0.646 . . . . 15.0 109.255 169.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.1 ttm180 -97.57 116.04 29.02 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.84 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -90.05 101.79 14.5 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 2.1 t -89.68 146.96 24.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.477 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.39 -3.37 8.11 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.516 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -73.07 -6.05 43.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.752 0.787 . . . . 15.0 109.573 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.7 25.8 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.368 -0.833 . . . . 15.0 112.747 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 60.0 mttp -127.13 125.6 41.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.671 -0.412 . . . . 15.0 111.265 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.85 90.09 4.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.549 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 38.9 p90 -90.46 139.05 31.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.456 0.646 . . . . 15.0 110.774 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 16.9 m-85 -103.36 98.27 8.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.835 -1.075 . . . . 15.0 109.785 176.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.89 120.24 30.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.038 0.923 . . . . 15.0 109.426 169.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.11 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -93.03 136.9 32.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.012 -1.449 . . . . 15.0 111.94 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -102.03 -5.38 24.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.947 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.11 ' HB2' HD21 ' A' ' 449' ' ' ASN . 54.9 mtp180 -73.68 -48.66 30.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.072 0.397 . . . . 15.0 112.072 -177.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.47 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.32 -0.13 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 15.0 110.956 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 mm? 65.66 71.62 0.42 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.454 0.645 . . . . 15.0 109.446 -171.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.47 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 43.2 mt-10 -133.4 136.05 45.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 15.0 110.33 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.486 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 8.4 p -93.07 115.21 27.89 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.377 -0.601 . . . . 15.0 109.377 171.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 4.8 t -127.71 128.66 45.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.665 0.745 . . . . 15.0 109.983 -176.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.1 m95 -114.6 16.23 17.6 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.183 0.992 . . . . 15.0 109.345 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -119.82 129.83 54.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.792 -1.549 . . . . 15.0 108.246 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -60.34 123.79 74.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.719 0.637 . . . . 15.0 112.719 -170.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.88 123.47 12.32 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.762 2.308 . . . . 15.0 111.891 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -73.52 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 15.0 111.975 -174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.25 -9.2 53.72 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.045 -0.41 . . . . 15.0 111.568 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.5 tt -85.38 -55.42 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.9 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 65.5 mttm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.575 -0.726 . . . . 15.0 111.305 -172.239 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.233 0.54 . . . . 15.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.593 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 0.0 OUTLIER -115.89 9.66 15.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.554 . . . . 15.0 111.082 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 96.9 m95 -89.69 132.83 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.0 m -89.59 97.75 11.38 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 109.617 -0.512 . . . . 15.0 109.617 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.88 91.96 8.82 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 107.31 -1.367 . . . . 15.0 107.31 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.544 ' HB3' ' CE2' ' A' ' 446' ' ' TYR . 26.9 ttt180 -105.09 105.9 16.16 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.221 -1.029 . . . . 15.0 108.221 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -90.09 101.43 14.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.107 -0.951 . . . . 15.0 110.666 -171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.6 p -89.7 135.59 33.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.595 -0.729 . . . . 15.0 110.895 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.38 14.68 0.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 15.0 112.377 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.87 4.04 31.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 15.0 109.183 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.28 8.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.284 -0.871 . . . . 15.0 112.044 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 128.37 12.19 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.973 0.416 . . . . 15.0 111.289 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -104.13 130.02 51.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.236 -0.653 . . . . 15.0 109.236 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.546 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 27.4 p90 -121.59 134.67 55.01 Favored 'General case' 0 CA--C 1.502 -0.865 0 C-N-CA 120.066 -0.653 . . . . 15.0 111.358 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.9 m-85 -108.53 89.6 3.04 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.87 176.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HB ' ' A' ' 436' ' ' THR . 20.1 t80 -89.53 129.83 35.94 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.675 0.75 . . . . 15.0 112.062 170.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.519 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 52.0 t-20 -140.19 149.56 43.1 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.841 -1.072 . . . . 15.0 108.832 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.537 ' HA ' HD22 ' A' ' 453' ' ' LEU . 27.3 m-80 -87.42 -1.33 57.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.314 0.578 . . . . 15.0 109.462 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.593 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 30.9 mtp180 -67.11 -31.81 72.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.832 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.2 p -120.14 -16.2 8.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.794 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mm? 60.42 29.13 18.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.523 0.678 . . . . 15.0 110.012 -167.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.02 133.36 55.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.079 -0.964 . . . . 15.0 111.156 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 9.3 t -89.77 111.36 22.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.775 -1.195 . . . . 15.0 107.775 167.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 27.9 p -93.07 124.09 36.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.33 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -107.21 0.88 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.044 0.926 . . . . 15.0 109.073 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.39 133.18 53.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.633 -1.617 . . . . 15.0 106.633 163.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.85 122.83 79.25 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 112.703 0.631 . . . . 15.0 112.703 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.08 135.57 59.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.144 2.563 . . . . 15.0 111.388 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -88.66 -17.29 30.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.583 -172.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.67 -12.7 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.606 -0.438 . . . . 15.0 111.421 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.19 1.06 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.858 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.661 -0.685 . . . . 15.0 109.737 174.911 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.027 0.441 . . . . 15.0 110.576 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.14 -16.18 38.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.95 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 37.9 m95 -124.9 117.68 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.339 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.8 m -89.79 97.36 11.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.24 97.23 11.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.311 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.562 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.4 ttt180 -128.19 115.36 18.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.394 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -91.67 114.77 27.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.682 0.753 . . . . 15.0 111.266 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.9 p -89.67 140.63 29.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.436 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.37 6.5 0.77 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.108 0.781 . . . . 15.0 113.108 -171.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.73 -4.48 49.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.626 0.727 . . . . 15.0 109.955 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 24.84 28.12 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.569 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.815 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 5.1 ptpp? -135.82 134.45 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.113 0.483 . . . . 15.0 110.091 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.6 m -113.3 114.31 26.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.972 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.778 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 22.5 p90 -97.23 124.99 41.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 119.914 -0.714 . . . . 15.0 111.003 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.0 m-85 -98.64 94.49 6.68 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.128 -0.942 . . . . 15.0 108.873 170.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -88.91 121.5 31.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.011 0.91 . . . . 15.0 110.311 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.593 HD21 ' CB ' ' A' ' 451' ' ' ARG . 5.1 t-20 -106.75 142.05 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.093 -1.412 . . . . 15.0 112.329 -173.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -102.95 -3.68 25.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.782 -0.644 . . . . 15.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.593 ' CB ' HD21 ' A' ' 449' ' ' ASN . 24.1 mmm180 -67.91 -55.7 11.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.907 0.384 . . . . 15.0 111.296 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 454' ' ' GLU . 6.0 t -120.11 0.5 10.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.2 mm? 69.16 71.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.43 0.634 . . . . 15.0 110.691 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 452' ' ' THR . 24.7 mt-10 -136.0 141.45 44.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.283 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 52.6 p -100.38 109.4 21.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.595 -0.891 . . . . 15.0 108.595 168.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.4 p -101.7 111.1 23.24 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.974 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.815 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 35.8 m95 -100.0 -7.31 25.24 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.192 0.996 . . . . 15.0 108.401 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -102.48 134.11 46.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.545 -1.661 . . . . 15.0 106.671 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -59.98 123.62 73.08 Favored Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -54.83 123.33 13.48 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.666 2.244 . . . . 15.0 110.867 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.44 -6.63 44.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.434 -0.348 . . . . 15.0 111.869 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.84 -16.76 52.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.282 0.563 . . . . 15.0 109.994 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.34 -9.8 19.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 mptt . . . . . 0 C--O 1.246 0.903 0 CA-C-N 115.046 -0.979 . . . . 15.0 111.54 177.318 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.068 0.461 . . . . 15.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.69 -15.37 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.605 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.473 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 57.7 m95 -117.43 100.08 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.664 -0.698 . . . . 15.0 109.371 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.0 m -90.51 100.74 13.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.88 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -90.04 94.06 9.64 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.583 -0.895 . . . . 15.0 108.583 169.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.46 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 35.7 ttt180 -105.0 118.13 35.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.92 108.51 19.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.555 -0.748 . . . . 15.0 109.96 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.594 ' OG1' ' HG3' ' A' ' 444' ' ' LYS . 35.2 p -89.71 149.96 22.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.88 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.33 40.23 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.396 0.888 . . . . 15.0 113.396 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.06 -11.97 45.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.48 0.657 . . . . 15.0 110.734 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.22 24.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.974 -0.632 . . . . 15.0 111.547 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.702 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.6 ptpp? -120.95 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.358 0.599 . . . . 15.0 110.663 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 113.58 25.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.171 174.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 29.7 p90 -105.52 139.09 40.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.727 -0.789 . . . . 15.0 110.551 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 41.2 m-85 -105.4 103.54 13.09 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.029 -0.987 . . . . 15.0 109.578 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.75 118.15 28.24 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 122.071 0.939 . . . . 15.0 109.59 169.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.02 HD21 ' HB2' ' A' ' 451' ' ' ARG . 4.3 t-20 -92.88 131.47 37.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.951 -1.477 . . . . 15.0 111.314 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.96 -2.26 27.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.651 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.02 ' HB2' HD21 ' A' ' 449' ' ' ASN . 18.1 mmt180 -66.13 -52.28 50.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.866 0.365 . . . . 15.0 111.176 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.521 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.8 OUTLIER -120.11 0.05 10.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.63 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.1 mm? 67.11 74.99 0.32 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.765 0.793 . . . . 15.0 109.579 -168.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.7 mt-10 -132.62 125.49 30.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.885 -1.052 . . . . 15.0 110.183 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 t -89.86 112.75 24.19 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.095 -1.076 . . . . 15.0 108.095 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.3 t -129.38 125.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.92 0.867 . . . . 15.0 109.939 -173.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.702 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 28.1 m95 -114.88 20.14 15.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.353 1.073 . . . . 15.0 109.522 -168.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.03 146.15 41.55 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.531 -1.668 . . . . 15.0 107.919 167.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -69.72 120.92 80.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.842 0.354 . . . . 15.0 111.446 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.402 ' HB3' ' OE2' ' A' ' 462' ' ' GLU . 76.0 Cg_exo -45.43 133.19 12.57 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.154 3.236 . . . . 15.0 113.694 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -102.27 -10.78 19.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.791 -174.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -90.42 -11.95 38.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.058 0.456 . . . . 15.0 110.428 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.0 tp -93.75 1.29 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.864 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.251 -0.881 . . . . 15.0 110.057 178.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.117 -0.327 . . . . 15.0 110.117 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.76 83.91 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.312 -0.404 . . . . 15.0 111.4 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -144.38 118.86 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.856 -0.794 . . . . 15.0 108.856 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.732 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 53.3 m -89.91 100.64 13.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 15.0 111.481 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.74 93.51 9.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.073 -0.967 . . . . 15.0 108.496 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -110.78 113.03 25.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 10.4 ptmm? -91.97 108.04 19.64 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.407 -175.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.3 p -89.69 144.3 26.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.894 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.39 9.68 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.227 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.39 0.4 25.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 15.0 109.626 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.35 24.08 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.885 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.632 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.4 ptpp? -150.07 133.98 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.003 0.43 . . . . 15.0 111.056 -175.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -105.39 117.74 34.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.678 176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 16.6 p90 -105.31 126.71 52.41 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.977 -0.689 . . . . 15.0 110.855 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.732 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -98.56 89.75 4.51 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.001 -1.0 . . . . 15.0 108.744 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.54 ' O ' ' HB ' ' A' ' 436' ' ' THR . 8.3 t80 -89.09 123.03 33.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.768 0.794 . . . . 15.0 109.811 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.792 HD21 ' HB2' ' A' ' 451' ' ' ARG . 2.4 t-20 -119.88 139.82 51.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.546 -1.206 . . . . 15.0 112.101 -172.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.431 ' HA ' HD22 ' A' ' 453' ' ' LEU . 3.8 t30 -91.72 -12.75 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.062 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.792 ' HB2' HD21 ' A' ' 449' ' ' ASN . 14.5 mmt180 -60.03 -48.04 83.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.677 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 454' ' ' GLU . 5.3 t -120.27 0.1 10.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.746 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 450' ' ' ASN . 2.9 mm? 65.36 35.53 7.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.149 0.499 . . . . 15.0 111.062 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.424 ' HB2' HG23 ' A' ' 452' ' ' THR . 12.8 mt-10 -102.69 134.1 46.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.069 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.824 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 2.7 p -93.35 102.27 14.52 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.26 -0.882 . . . . 15.0 108.781 168.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 29.4 p -99.53 121.74 41.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.844 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.824 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 43.1 m95 -108.08 -0.32 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.856 0.836 . . . . 15.0 109.53 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.98 136.66 49.65 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.012 -1.477 . . . . 15.0 107.012 163.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -59.93 123.15 70.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.252 0.345 . . . . 15.0 111.473 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 93.5 Cg_exo -45.5 137.0 11.73 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.721 2.948 . . . . 15.0 112.961 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.42 -12.98 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.041 0.448 . . . . 15.0 110.422 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 0.7 OUTLIER -87.65 -2.57 58.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 15.0 110.627 178.057 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.54 -16.81 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.662 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.285 -0.864 . . . . 15.0 110.406 -175.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.2 OUTLIER -88.0 -32.44 18.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.714 0.292 . . . . 15.0 110.705 -178.249 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 57.8 m95 -124.84 99.9 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 175.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.695 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.9 m -89.93 105.34 17.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 15.0 111.302 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.653 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 3.9 pt-20 -89.86 90.04 8.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.581 0.705 . . . . 15.0 109.864 171.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.409 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -93.91 108.17 19.99 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.565 -0.902 . . . . 15.0 108.565 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 445' ' ' THR . 7.9 ptpp? -89.92 104.1 16.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.86 0.838 . . . . 15.0 110.608 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 150.24 22.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.537 -1.211 . . . . 15.0 110.326 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.08 12.1 0.6 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.421 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.0 -4.71 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.81 9.49 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.985 -1.007 . . . . 15.0 111.943 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -144.11 120.81 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 15.0 111.859 -175.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.4 p -89.84 93.5 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.485 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.602 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 19.6 p90 -96.27 133.16 40.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.762 -0.775 . . . . 15.0 111.138 -176.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -102.81 95.96 6.53 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.787 -1.097 . . . . 15.0 109.628 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -89.06 127.72 35.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.771 0.796 . . . . 15.0 109.308 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.6 HD21 ' HG2' ' A' ' 451' ' ' ARG . 2.4 t-20 -121.9 140.59 52.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.225 -1.352 . . . . 15.0 111.794 -170.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -93.6 -8.53 40.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.724 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.1 mmm180 -60.94 -50.54 72.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.895 0.379 . . . . 15.0 110.687 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -120.06 0.06 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.03 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 65.95 34.06 7.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.48 0.657 . . . . 15.0 109.738 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.26 135.42 47.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.699 -1.137 . . . . 15.0 110.921 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.531 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 50.5 p -99.26 110.7 23.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.406 -0.59 . . . . 15.0 109.406 172.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 37.0 p -99.81 112.82 25.05 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.687 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.602 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 41.8 m95 -98.29 6.15 47.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.572 1.177 . . . . 15.0 108.508 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.5 132.58 55.63 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 112.988 -1.914 . . . . 15.0 106.996 161.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -63.77 116.72 28.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 111.858 0.318 . . . . 15.0 111.858 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.67 125.85 18.95 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.873 2.382 . . . . 15.0 112.41 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 4.7 pm0 -73.66 -16.83 61.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 15.0 112.06 -175.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -83.61 4.08 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.803 -0.359 . . . . 15.0 111.236 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 463' ' ' LEU . 2.8 tt -77.71 -18.89 56.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.631 -0.878 . . . . 15.0 108.631 173.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.1 mmmp? . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.775 -1.102 . . . . 15.0 111.72 178.653 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.959 0.409 . . . . 15.0 110.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.628 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 5.8 pt-20 -77.9 -7.43 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.076 -0.511 . . . . 15.0 112.139 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.81 ' HB2' HD22 ' A' ' 463' ' ' LEU . 45.4 m95 -122.03 117.65 26.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.848 -0.427 . . . . 15.0 109.848 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 63.1 m -92.0 103.97 16.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.647 -0.251 . . . . 15.0 110.483 176.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -91.78 89.93 7.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.785 0.802 . . . . 15.0 109.035 174.342 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -102.41 120.87 41.24 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.154 -0.618 . . . . 15.0 110.399 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.06 108.27 19.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.353 -0.84 . . . . 15.0 108.755 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.0 p -89.63 150.0 22.57 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.844 -0.617 . . . . 15.0 110.638 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.58 40.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.791 -0.64 . . . . 15.0 112.082 -173.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.87 -7.68 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.504 0.668 . . . . 15.0 109.639 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 32.94 9.21 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.592 -0.731 . . . . 15.0 112.092 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -122.03 115.06 21.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.327 -0.249 . . . . 15.0 110.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 95.58 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.884 -0.784 . . . . 15.0 108.884 170.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.7 p90 -101.03 135.46 42.45 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.548 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.2 m-85 -101.01 99.49 9.95 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.711 -1.131 . . . . 15.0 109.288 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -89.09 118.64 28.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.669 0.747 . . . . 15.0 109.848 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.792 HD22 ' H ' ' A' ' 452' ' ' THR . 2.1 t30 -90.05 137.41 32.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.328 -1.305 . . . . 15.0 112.304 -173.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.94 -0.09 27.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.813 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 4.7 mtm-85 -68.83 -61.36 1.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.416 0.627 . . . . 15.0 110.783 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.792 ' H ' HD22 ' A' ' 449' ' ' ASN . 0.2 OUTLIER -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.834 . . . . 15.0 110.958 -173.075 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.9 mm? 71.2 74.95 0.18 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.51 -172.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 38.0 mt-10 -133.9 128.3 34.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 15.0 110.088 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.1 t -93.49 110.42 22.0 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.016 -0.735 . . . . 15.0 109.016 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.0 p -116.49 113.56 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 15.0 110.421 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 27.4 m95 -107.06 8.85 30.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.364 1.078 . . . . 15.0 109.36 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.94 150.12 25.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.109 -1.86 . . . . 15.0 107.836 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -71.35 115.2 34.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.13 130.55 24.48 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.503 2.136 . . . . 15.0 111.698 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.17 -9.42 46.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.512 0.672 . . . . 15.0 110.051 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.77 -24.67 41.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.28 -0.873 . . . . 15.0 111.171 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.81 HD22 ' HB2' ' A' ' 435' ' ' TRP . 26.9 tp -120.09 -0.65 10.49 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.934 -0.307 . . . . 15.0 111.169 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.819 179.277 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 109.44 -0.578 . . . . 15.0 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.559 ' HB3' ' HG3' ' A' ' 451' ' ' ARG . 9.3 mm-40 -95.66 -4.69 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.835 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 54.8 m95 -117.85 110.87 18.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.015 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.692 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.7 m -89.94 96.68 10.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.431 -0.349 . . . . 15.0 110.341 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -90.39 91.55 8.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.506 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.1 ttt180 -122.29 116.38 23.99 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 -177.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 120.22 39.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.909 0.861 . . . . 15.0 110.568 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.3 p -89.61 139.27 30.71 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.224 -0.898 . . . . 15.0 109.899 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.47 2.65 2.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.142 0.496 . . . . 15.0 111.301 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.54 -7.61 45.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.495 0.664 . . . . 15.0 110.023 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 29.87 13.4 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.479 -0.782 . . . . 15.0 112.5 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.768 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.5 ptpp? -144.19 127.45 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 15.0 111.001 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.2 m -96.39 128.83 43.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.796 -0.638 . . . . 15.0 109.826 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 20.7 p90 -119.54 136.87 54.16 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.048 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.692 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -107.1 98.66 8.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 114.892 -1.049 . . . . 15.0 109.341 173.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.23 118.26 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.132 0.967 . . . . 15.0 109.994 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 1.021 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -96.7 133.85 40.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.044 -1.435 . . . . 15.0 112.157 -172.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -97.95 -3.76 37.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.812 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.021 ' HB2' HD21 ' A' ' 449' ' ' ASN . 31.7 mtp180 -70.86 -50.24 37.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.745 0.307 . . . . 15.0 111.511 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . 1.041 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 1.5 m -120.19 0.0 10.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.524 -0.307 . . . . 15.0 110.846 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.5 mm? 73.36 35.99 0.85 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.53 0.681 . . . . 15.0 109.522 -172.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 1.041 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.0 mt-10 -93.39 124.59 37.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.947 . . . . 15.0 110.84 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.0 t -90.63 114.52 26.81 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 t -127.69 125.0 39.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.59 0.71 . . . . 15.0 109.847 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.768 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 24.3 m95 -109.63 11.32 24.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.329 1.062 . . . . 15.0 109.207 -171.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -111.68 135.4 52.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.507 164.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -61.13 121.55 63.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 111.888 0.329 . . . . 15.0 111.888 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.17 124.96 11.09 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.636 2.89 . . . . 15.0 112.863 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -72.79 -21.17 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.124 -172.373 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -89.09 -9.9 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.485 -0.486 . . . . 15.0 111.042 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 42.6 tp -89.03 -14.96 35.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.328 0.585 . . . . 15.0 110.121 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.082 -0.961 . . . . 15.0 110.256 179.297 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 43.9 m95 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 109.413 -0.588 . . . . 15.0 109.413 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.7 m -89.74 104.42 16.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 15.0 110.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.8 pt-20 -90.12 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.738 -1.119 . . . . 15.0 109.239 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.555 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.5 ttt180 -115.04 113.47 24.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.417 -0.81 . . . . 15.0 109.662 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -89.71 98.61 11.87 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.906 0.86 . . . . 15.0 110.113 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 37.2 p -89.94 147.18 23.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.78 -1.1 . . . . 15.0 111.903 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.29 -1.32 2.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.107 -0.952 . . . . 15.0 111.427 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.77 -10.4 36.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 15.0 109.697 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.48 27.06 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.334 -0.848 . . . . 15.0 111.839 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -145.93 138.24 25.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 15.0 110.793 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 104.82 16.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.683 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 3.3 p90 -97.13 141.46 30.24 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.488 -0.885 . . . . 15.0 111.197 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.3 m-85 -109.44 89.71 3.08 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.12 -0.946 . . . . 15.0 108.663 170.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -90.01 134.65 34.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.169 0.509 . . . . 15.0 111.567 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t-20 -138.77 146.98 42.05 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.137 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.07 2.35 54.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.172 -0.922 . . . . 15.0 108.95 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.56 -50.28 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.14 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.3 p -120.36 0.27 10.54 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.118 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.9 mm? 66.26 27.21 10.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.397 0.617 . . . . 15.0 109.628 -170.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 45.0 mt-10 -103.87 149.76 24.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.589 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.6 p -116.73 113.88 23.22 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.566 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 43.3 p -94.29 106.92 18.89 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.977 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.683 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 28.4 m95 -91.44 1.19 57.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.081 0.943 . . . . 15.0 108.807 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -112.45 137.98 49.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 113.979 -1.464 . . . . 15.0 107.763 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 60.5 mttp -71.45 114.96 32.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -171.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 14.0 Cg_exo -69.6 151.84 70.03 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.961 2.441 . . . . 15.0 112.64 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.114 -0.493 . . . . 15.0 110.407 178.215 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.46 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 55.3 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.033 -0.729 . . . . 15.0 109.033 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 83.2 m -89.85 98.54 11.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.849 -0.34 . . . . 15.0 110.357 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.35 90.21 7.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.552 -0.907 . . . . 15.0 108.552 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.565 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -105.96 115.89 31.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.466 0.651 . . . . 15.0 109.927 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 445' ' ' THR . 2.9 ptpt -91.15 109.07 20.32 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.552 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 61.6 p -89.64 150.15 22.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.652 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.8 21.28 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.55 -3.88 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 15.0 109.795 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.1 26.74 27.82 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.508 -0.769 . . . . 15.0 112.009 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -128.34 118.67 23.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.178 0.513 . . . . 15.0 111.445 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.6 p -92.07 99.8 12.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.353 -0.839 . . . . 15.0 110.026 173.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.565 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 39.2 p90 -92.82 137.14 32.62 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.856 -0.738 . . . . 15.0 110.204 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.677 ' HA ' ' O ' ' A' ' 436' ' ' THR . 11.5 m-85 -105.93 97.91 7.66 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.732 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -89.08 120.73 30.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.098 0.951 . . . . 15.0 109.377 170.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.866 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -108.0 137.69 45.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.559 -173.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -95.35 -12.24 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 15.0 111.317 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.866 ' HB2' HD21 ' A' ' 449' ' ' ASN . 21.2 mmm180 -62.51 -47.23 84.85 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.165 0.507 . . . . 15.0 110.609 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 1.037 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.6 OUTLIER -120.38 0.44 10.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.019 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.0 mm? 67.16 31.65 6.6 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.451 0.643 . . . . 15.0 109.978 -173.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 1.037 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -92.56 125.2 37.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.913 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 t -92.35 104.46 16.8 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.792 -1.188 . . . . 15.0 107.792 170.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -120.16 131.27 54.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.594 0.712 . . . . 15.0 109.973 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 24.2 m95 -113.47 15.22 19.11 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 122.357 1.075 . . . . 15.0 108.718 -170.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.95 132.75 53.77 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.3 -1.773 . . . . 15.0 108.361 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -66.8 115.21 22.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 123.393 0.433 . . . . 15.0 112.048 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.94 132.52 52.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.588 2.859 . . . . 15.0 112.812 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.965 -179.226 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.5 m95 . . . . . 0 C--O 1.224 -0.267 0 N-CA-C 109.841 -0.429 . . . . 15.0 109.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.709 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 40.5 m -89.71 103.68 16.31 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.378 -0.529 . . . . 15.0 109.99 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.635 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -89.76 89.71 7.89 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.965 0.888 . . . . 15.0 108.723 173.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.486 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 75.3 ttt180 -95.79 112.61 24.29 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.297 -0.865 . . . . 15.0 109.801 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.91 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.62 107.13 18.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.129 -0.942 . . . . 15.0 109.775 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.7 p -89.5 147.46 23.97 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.37 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.86 -14.42 45.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.17 -173.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -5.25 35.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.266 0.555 . . . . 15.0 110.698 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 21.99 36.9 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.614 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -113.59 111.34 21.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.805 0.336 . . . . 15.0 110.602 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 p -95.62 115.42 27.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.15 173.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 23.8 p90 -121.93 140.33 52.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.145 -0.622 . . . . 15.0 110.669 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.709 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.6 m-85 -105.26 89.68 3.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.442 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.464 ' O ' ' HB ' ' A' ' 436' ' ' THR . 13.7 t80 -89.72 132.19 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.036 0.446 . . . . 15.0 110.699 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -141.4 148.67 39.98 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.039 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD22 ' A' ' 453' ' ' LEU . 11.5 m120 -87.22 3.27 47.24 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.282 -176.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 8.7 mmp_? -59.56 -52.96 63.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.076 -0.965 . . . . 15.0 110.192 173.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 454' ' ' GLU . 2.6 t -120.49 0.42 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.161 176.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.2 mm? 65.36 30.99 10.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.321 0.581 . . . . 15.0 110.395 -175.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 452' ' ' THR . 6.3 mm-40 -117.29 147.11 42.87 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.211 -0.904 . . . . 15.0 110.394 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.4 p -110.09 115.98 30.74 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.821 -0.627 . . . . 15.0 109.801 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.1 p -95.44 110.5 22.54 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.45 -0.795 . . . . 15.0 109.565 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 33.8 m95 -93.51 -1.04 56.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.849 0.833 . . . . 15.0 109.327 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -111.52 143.02 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.299 -1.319 . . . . 15.0 108.03 164.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 9.0 mtpm? -61.13 114.85 11.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 123.161 0.288 . . . . 15.0 111.531 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -63.86 135.45 48.25 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.633 2.222 . . . . 15.0 112.995 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.563 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 3.3 pm0 . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.813 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.523 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 53.0 m95 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.741 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 60.3 m -89.98 99.66 12.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.659 -0.417 . . . . 15.0 110.553 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -89.85 91.24 8.53 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.3 -1.0 . . . . 15.0 108.3 172.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.521 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 53.9 ttt180 -108.65 112.25 24.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.507 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 30.1 ttmt -90.93 108.2 19.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 15.0 110.113 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.66 149.97 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.478 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.53 0.19 13.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 111.127 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.67 -0.9 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.552 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.05 27.41 40.91 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.509 -0.768 . . . . 15.0 111.334 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -126.71 121.03 30.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.742 0.306 . . . . 15.0 110.497 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -103.46 93.09 4.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 25.0 p90 -92.83 126.52 37.95 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 119.285 -0.966 . . . . 15.0 110.927 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.741 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -97.07 101.4 12.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.77 -1.105 . . . . 15.0 108.266 171.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -88.76 116.43 27.02 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.976 0.893 . . . . 15.0 109.413 172.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.008 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.4 t-20 -89.9 123.48 33.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.857 -1.52 . . . . 15.0 110.969 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -94.14 -8.33 39.8 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.214 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.008 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.1 mmm-85 -65.35 -49.48 69.22 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.216 0.532 . . . . 15.0 110.7 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.4 m -120.02 0.22 10.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.202 -177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.6 mm? 70.42 32.69 2.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.489 0.661 . . . . 15.0 109.84 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 9.7 mm-40 -95.65 132.13 41.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.674 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.751 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 33.3 p -89.92 111.78 22.95 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 173.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 2.7 p -115.48 113.71 24.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.02 -174.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.751 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 24.0 m95 -107.72 14.38 25.63 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 122.772 1.273 . . . . 15.0 108.369 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -113.96 150.03 34.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 112.508 -2.133 . . . . 15.0 107.376 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.04 120.37 73.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 15.0 111.367 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 125.25 18.47 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.188 2.592 . . . . 15.0 112.154 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.676 -175.289 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 78.6 m95 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 108.953 -0.758 . . . . 15.0 108.953 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.815 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 43.9 m -90.01 105.74 18.01 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.953 -0.299 . . . . 15.0 111.197 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 54.9 tt0 -89.85 93.04 9.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.367 1.042 . . . . 15.0 108.48 169.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.496 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.5 ttt180 -102.24 126.65 49.29 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.019 -0.734 . . . . 15.0 109.019 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -89.79 111.89 23.03 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.373 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.5 p -89.64 149.65 22.71 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.381 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.91 -4.65 7.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.732 -0.667 . . . . 15.0 112.218 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.08 -6.54 53.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 15.0 109.944 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.79 27.91 20.31 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.677 -0.692 . . . . 15.0 111.538 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -132.21 120.36 22.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 15.0 111.622 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.568 ' HB ' ' HG3' ' A' ' 437' ' ' GLU . 13.2 p -89.9 106.8 18.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 15.0 109.606 172.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.566 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.1 p90 -96.15 124.99 40.37 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 119.982 -0.687 . . . . 15.0 110.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.815 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.8 m-85 -95.69 89.54 5.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.327 -0.619 . . . . 15.0 109.327 174.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.84 127.66 36.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.161 0.505 . . . . 15.0 109.966 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.435 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 46.8 t-20 -134.61 144.21 47.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 15.0 110.034 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -85.73 -2.34 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 15.0 109.597 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 33.2 mmt180 -59.66 -47.37 85.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.422 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 4.9 p -120.17 -1.62 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.555 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 61.35 24.91 14.95 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.54 0.686 . . . . 15.0 109.961 -171.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 52.1 mm-40 -108.87 148.54 30.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.96 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 51.0 p -113.66 116.17 29.03 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.233 -0.894 . . . . 15.0 109.362 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 76.8 p -100.49 124.38 45.95 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.794 -0.817 . . . . 15.0 108.794 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 34.0 m95 -104.04 11.14 35.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.415 1.102 . . . . 15.0 109.166 -173.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -120.0 143.4 48.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.254 -1.794 . . . . 15.0 107.383 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.659 ' HG2' ' OH ' ' A' ' 447' ' ' TYR . 64.9 mttm -59.92 113.7 7.93 Favored Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 117.944 0.338 . . . . 15.0 111.366 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.11 134.16 19.04 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.553 2.169 . . . . 15.0 111.919 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.23 0.538 . . . . 15.0 110.351 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 10.8 m95 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.559 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.8 m -90.11 107.29 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.379 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 7.8 pt-20 -96.43 93.26 6.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.542 0.687 . . . . 15.0 109.766 172.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.574 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 77.7 ttt180 -90.2 113.25 25.01 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.87 -0.789 . . . . 15.0 108.87 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 3.8 ttmp? -89.96 96.55 10.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.549 0.69 . . . . 15.0 109.696 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.8 p -89.72 146.46 24.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.96 -1.018 . . . . 15.0 111.101 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.72 3.74 2.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.791 -0.641 . . . . 15.0 111.332 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.38 3.51 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.64 0.733 . . . . 15.0 109.519 174.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.53 17.97 65.08 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.558 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -137.33 126.82 25.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.912 0.387 . . . . 15.0 110.714 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.6 m -104.25 99.12 8.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.026 -0.731 . . . . 15.0 109.026 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.574 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 46.5 p90 -89.85 134.2 34.33 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 119.743 -0.783 . . . . 15.0 111.473 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 9.3 m-85 -101.12 94.0 5.76 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.439 174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -88.81 119.0 28.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.912 0.863 . . . . 15.0 108.735 168.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.611 HD21 ' HG3' ' A' ' 451' ' ' ARG . 2.3 t-20 -108.11 142.36 38.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.107 -1.406 . . . . 15.0 112.272 -169.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -94.39 -8.54 38.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 15.0 110.739 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.611 ' HG3' HD21 ' A' ' 449' ' ' ASN . 2.1 mtm180 -60.28 -53.53 56.59 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.207 0.527 . . . . 15.0 110.37 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -119.98 0.18 10.73 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.351 -0.84 . . . . 15.0 111.971 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.7 mm? 70.67 31.97 2.67 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.386 0.612 . . . . 15.0 109.832 -176.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -96.98 135.61 38.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.979 -1.01 . . . . 15.0 111.229 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.0 t -96.23 101.89 13.6 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 t -116.92 136.75 52.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.448 0.642 . . . . 15.0 109.983 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 23.5 m95 -114.56 18.86 16.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.549 1.166 . . . . 15.0 108.565 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -114.13 145.54 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 112.949 -1.932 . . . . 15.0 107.846 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -73.19 110.83 9.51 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 111.796 0.295 . . . . 15.0 111.796 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.05 141.16 56.77 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.094 2.529 . . . . 15.0 113.565 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 115.443 -0.798 . . . . 15.0 111.666 177.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.479 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 67.8 m95 . . . . . 0 CA--C 1.516 -0.328 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 93.7 m -89.85 90.87 8.37 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.461 -0.57 . . . . 15.0 109.461 174.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.99 89.72 7.83 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.552 0.692 . . . . 15.0 109.351 173.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.438 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 32.7 ttt180 -93.09 113.83 26.19 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.3 ptpp? -89.71 97.85 11.43 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.754 0.788 . . . . 15.0 110.266 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.4 p -89.56 148.02 23.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.847 -1.07 . . . . 15.0 110.534 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.42 -2.79 9.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.815 -173.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -74.1 1.55 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.434 0.635 . . . . 15.0 109.888 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 28.72 21.05 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.627 -0.715 . . . . 15.0 112.62 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -150.07 128.91 12.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.168 0.508 . . . . 15.0 112.013 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 439' ' ' LYS . 43.5 p -93.11 105.47 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.427 171.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 33.9 p90 -91.6 132.83 36.05 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 119.253 -0.979 . . . . 15.0 110.305 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 5.9 m-85 -104.48 97.76 7.64 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.922 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.99 123.1 33.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 15.0 109.332 167.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.991 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -102.14 141.81 34.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.899 -1.5 . . . . 15.0 112.033 -170.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -105.24 -3.92 22.29 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.964 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.991 ' HB2' HD21 ' A' ' 449' ' ' ASN . 93.7 mtt180 -62.0 -56.21 21.41 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.452 0.644 . . . . 15.0 110.214 175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.519 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.11 -0.07 10.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 15.0 111.026 -174.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.6 mm? 65.71 75.09 0.36 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.501 0.667 . . . . 15.0 109.434 -171.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.519 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 49.9 mt-10 -128.07 150.0 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.075 -0.966 . . . . 15.0 110.701 -173.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.1 t -114.36 110.14 19.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.332 -0.988 . . . . 15.0 108.332 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -131.9 132.39 43.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.814 0.816 . . . . 15.0 109.594 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -115.3 17.16 16.69 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.503 1.144 . . . . 15.0 109.015 -170.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -120.11 128.71 53.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.135 -1.848 . . . . 15.0 108.102 171.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 7.8 mtpm? -59.79 113.99 8.55 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.284 0.365 . . . . 15.0 111.9 -172.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.6 Cg_endo -58.36 141.97 97.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.24 2.627 . . . . 15.0 112.428 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.972 178.158 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 16.2 m95 . . . . . 0 C--O 1.232 0.164 0 N-CA-C 110.087 -0.338 . . . . 15.0 110.087 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.616 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.6 m -90.67 102.51 15.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.356 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.7 pt-20 -90.08 98.87 12.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.733 0.778 . . . . 15.0 109.305 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -123.74 130.91 53.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.943 -1.026 . . . . 15.0 109.287 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -97.65 120.55 38.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.171 0.51 . . . . 15.0 110.508 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.2 p -89.44 150.21 22.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.306 -0.861 . . . . 15.0 109.536 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.53 7.17 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -86.06 -9.26 57.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.537 0.684 . . . . 15.0 109.498 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 42.49 5.25 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.481 -0.781 . . . . 15.0 112.243 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -139.81 128.53 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.742 0.306 . . . . 15.0 111.369 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.1 m -94.28 94.67 8.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.2 p90 -90.55 140.47 29.72 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.78 -0.768 . . . . 15.0 110.627 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.616 ' HA ' ' O ' ' A' ' 436' ' ' THR . 10.7 m-85 -105.42 101.14 10.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.45 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.71 121.24 30.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.324 1.059 . . . . 15.0 109.291 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.025 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -101.31 134.39 44.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.124 -1.853 . . . . 15.0 111.528 -174.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -100.97 -0.93 35.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.761 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.025 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.8 mmp_? -64.08 -53.1 54.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.411 0.624 . . . . 15.0 110.056 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.4 m -120.1 0.28 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.835 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 72.16 29.18 2.33 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.622 0.725 . . . . 15.0 109.197 -174.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.764 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 mm-40 -90.44 119.5 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.776 -1.102 . . . . 15.0 110.854 -174.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 106.56 18.56 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.376 -0.972 . . . . 15.0 108.376 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -120.31 134.04 55.34 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.576 0.703 . . . . 15.0 109.702 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.2 m95 -114.25 14.69 18.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 122.247 1.023 . . . . 15.0 109.556 -169.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 138.62 45.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.823 -1.535 . . . . 15.0 107.643 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.74 113.13 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.191 0.441 . . . . 15.0 112.191 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.15 128.31 8.95 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.762 2.308 . . . . 15.0 111.729 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 15.0 110.609 -176.183 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.443 ' HZ2' ' NH1' ' A' ' 451' ' ' ARG . 57.4 m95 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 108.392 -0.966 . . . . 15.0 108.392 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.733 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 48.6 m -89.58 105.34 17.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.563 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 7.2 pt-20 -89.91 89.95 7.96 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 122.006 0.908 . . . . 15.0 108.632 170.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -92.65 118.94 31.57 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.364 -0.976 . . . . 15.0 108.364 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.665 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -90.06 111.2 22.23 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.994 0.902 . . . . 15.0 109.779 -175.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.2 p -89.62 147.56 23.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.463 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.18 -13.17 57.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.43 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.99 -3.25 38.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.383 0.611 . . . . 15.0 110.222 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 33.2 9.11 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.604 -0.726 . . . . 15.0 112.333 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -126.88 111.28 13.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.905 0.383 . . . . 15.0 111.527 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 p -90.1 92.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.819 -0.628 . . . . 15.0 109.533 170.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 14.3 p90 -96.76 130.04 44.08 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.421 -0.512 . . . . 15.0 110.492 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -94.08 89.62 6.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.08 122.04 32.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.443 0.639 . . . . 15.0 109.37 170.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.544 ' OD1' ' HB2' ' A' ' 451' ' ' ARG . 2.3 t-20 -127.49 150.09 49.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.991 -1.004 . . . . 15.0 112.044 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -96.72 -2.55 44.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.693 -1.14 . . . . 15.0 111.524 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 73.9 mtp180 -70.17 -46.57 64.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 15.0 110.589 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.5 p -120.08 -0.03 10.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.293 0.479 . . . . 15.0 112.293 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 62.41 38.33 12.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.329 0.585 . . . . 15.0 110.491 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -118.58 150.03 40.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.507 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 10.9 p -111.23 115.37 29.25 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.803 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.2 p -101.17 116.03 31.88 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.392 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 35.8 m95 -95.51 9.56 39.67 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.966 0.889 . . . . 15.0 109.809 -174.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -119.74 148.12 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 113.966 -1.47 . . . . 15.0 107.499 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -67.03 116.08 32.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 117.763 0.256 . . . . 15.0 111.482 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -68.38 113.43 3.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.45 2.1 . . . . 15.0 111.322 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.331 -176.192 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.527 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 32.4 m95 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 108.957 -0.757 . . . . 15.0 108.957 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.634 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.5 m -89.74 97.16 11.03 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -90.23 90.42 8.08 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.913 -0.773 . . . . 15.0 108.913 173.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 28.0 ttt180 -116.11 122.26 44.58 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.771 -0.65 . . . . 15.0 109.813 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.931 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.63 118.56 29.34 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.625 179.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.7 p -89.74 150.1 22.45 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.45 -0.795 . . . . 15.0 110.094 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.83 -0.74 2.38 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.415 0.524 . . . . 15.0 112.415 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 21.0 t70 -88.39 -4.61 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.585 0.707 . . . . 15.0 109.802 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 30.92 11.7 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.604 -0.725 . . . . 15.0 111.842 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.2 mttm -119.36 115.1 23.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 15.0 110.82 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.8 p -90.04 94.24 9.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 170.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 34.4 p90 -89.85 141.86 28.24 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 119.878 -0.729 . . . . 15.0 110.013 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.634 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.1 m-85 -111.25 101.58 10.06 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -89.06 113.0 24.08 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.921 0.867 . . . . 15.0 109.007 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.057 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -90.07 134.22 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.019 -1.446 . . . . 15.0 112.067 -173.122 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -6.25 28.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.705 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.057 ' HB2' HD21 ' A' ' 449' ' ' ASN . 34.4 mmt180 -65.7 -54.13 31.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.102 0.477 . . . . 15.0 110.428 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.855 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.25 0.3 10.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.225 -177.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.3 mm? 72.69 40.69 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.476 0.655 . . . . 15.0 109.55 -175.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.855 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -99.73 125.88 45.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.108 -0.951 . . . . 15.0 110.661 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 t -92.18 111.6 23.22 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -132.14 130.75 41.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.651 0.739 . . . . 15.0 109.775 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.605 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.4 m95 -111.16 20.01 17.82 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.375 1.083 . . . . 15.0 109.3 -170.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -112.77 145.43 40.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 113.224 -1.807 . . . . 15.0 107.465 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.21 113.69 19.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 121.129 -0.229 . . . . 15.0 111.18 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.37 130.68 32.9 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.06 2.506 . . . . 15.0 112.448 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.781 -0.645 . . . . 15.0 110.506 179.09 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.8 m95 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.656 -0.498 . . . . 15.0 109.656 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.2 m -89.53 100.62 13.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.398 -0.365 . . . . 15.0 110.273 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.3 pt-20 -90.0 90.28 8.07 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.291 171.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 39.3 ttm180 -100.39 121.19 41.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -89.83 105.96 18.15 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.874 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.9 p -89.75 138.54 31.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.97 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.2 10.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.0 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.95 -1.88 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.549 0.69 . . . . 15.0 109.362 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.12 32.82 10.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.305 -0.861 . . . . 15.0 112.334 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -146.98 126.33 13.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.553 0.692 . . . . 15.0 111.429 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -97.75 113.96 25.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.719 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.679 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.8 p90 -98.35 135.13 40.39 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.332 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 436' ' ' THR . 51.5 m-85 -101.57 93.94 5.62 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.659 172.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -89.21 123.07 33.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.684 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 451' ' ' ARG . 6.1 t-20 -109.35 142.89 39.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.675 -1.148 . . . . 15.0 112.595 -172.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -101.55 -4.67 26.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.729 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.603 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 87.2 mtt180 -64.71 -54.85 25.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.179 0.514 . . . . 15.0 111.02 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.3 t -120.51 0.42 10.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.905 -0.588 . . . . 15.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 67.39 69.78 0.37 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.736 0.779 . . . . 15.0 110.039 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.03 132.25 38.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.719 -1.128 . . . . 15.0 110.856 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.461 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 11.6 p -97.8 111.13 23.54 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 171.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 t -122.67 128.23 50.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.395 0.616 . . . . 15.0 109.518 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.679 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 27.6 m95 -112.09 2.37 16.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.898 0.856 . . . . 15.0 110.047 -170.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.89 132.72 46.16 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.359 -1.291 . . . . 15.0 107.959 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.57 119.8 46.87 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.37 118.51 5.39 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.64 2.227 . . . . 15.0 111.785 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.699 -175.037 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 41.0 m95 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.3 m -91.32 100.93 13.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.499 176.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -92.73 90.14 6.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.909 0.862 . . . . 15.0 109.317 170.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.457 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 73.9 ttt180 -90.37 126.85 36.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.512 -0.767 . . . . 15.0 110.066 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -89.75 105.69 17.97 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.393 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 57.6 p -89.52 143.93 26.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.069 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.07 28.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.988 0.423 . . . . 15.0 111.124 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.0 -5.93 29.86 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.36 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.56 35.93 9.03 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.894 -0.594 . . . . 15.0 112.404 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -142.06 125.09 16.23 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.912 0.387 . . . . 15.0 111.536 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 15.0 109.705 170.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.498 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.4 p90 -96.65 130.88 43.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.344 -0.942 . . . . 15.0 110.16 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 5.4 m-85 -95.94 101.94 13.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.069 175.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.91 114.74 25.86 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 122.086 0.946 . . . . 15.0 108.961 168.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.126 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.2 t-20 -90.39 130.41 36.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.667 -1.606 . . . . 15.0 111.669 -173.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -98.86 -1.91 39.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.126 ' HB2' HD21 ' A' ' 449' ' ' ASN . 30.6 mmt180 -71.27 -50.78 29.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.761 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.975 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.7 OUTLIER -120.08 0.09 10.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 15.0 111.202 -179.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.3 mm? 72.89 35.07 1.04 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.586 0.708 . . . . 15.0 109.608 -174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.975 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 41.6 mt-10 -91.55 141.93 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.119 -0.946 . . . . 15.0 111.049 -174.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 25.1 p -93.97 113.24 25.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 p -120.0 117.3 27.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 15.0 110.628 -173.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.498 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 32.6 m95 -116.25 5.26 13.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.822 0.82 . . . . 15.0 110.106 -174.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -109.88 133.84 52.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.655 -1.239 . . . . 15.0 107.655 165.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -60.25 117.76 27.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 112.254 0.465 . . . . 15.0 112.254 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -59.17 140.44 94.94 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.152 2.568 . . . . 15.0 112.839 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.519 0.676 . . . . 15.0 109.469 176.163 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.585 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 67.2 m95 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.0 m -89.89 92.98 9.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.769 0.318 . . . . 15.0 110.401 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.6 pt-20 -89.72 92.39 9.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.255 -0.646 . . . . 15.0 109.255 169.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.1 ttm180 -97.57 116.04 29.02 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.84 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -90.05 101.79 14.5 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 2.1 t -89.68 146.96 24.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.477 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.39 -3.37 8.11 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.516 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -73.07 -6.05 43.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.752 0.787 . . . . 15.0 109.573 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.7 25.8 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.368 -0.833 . . . . 15.0 112.747 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 60.0 mttp -127.13 125.6 41.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.671 -0.412 . . . . 15.0 111.265 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.85 90.09 4.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.549 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 38.9 p90 -90.46 139.05 31.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.456 0.646 . . . . 15.0 110.774 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 16.9 m-85 -103.36 98.27 8.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.835 -1.075 . . . . 15.0 109.785 176.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.89 120.24 30.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.038 0.923 . . . . 15.0 109.426 169.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.11 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -93.03 136.9 32.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.012 -1.449 . . . . 15.0 111.94 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.03 -5.38 24.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.947 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.11 ' HB2' HD21 ' A' ' 449' ' ' ASN . 54.9 mtp180 -73.68 -48.66 30.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.072 0.397 . . . . 15.0 112.072 -177.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.47 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.32 -0.13 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 15.0 110.956 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 mm? 65.66 71.62 0.42 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.454 0.645 . . . . 15.0 109.446 -171.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.47 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 43.2 mt-10 -133.4 136.05 45.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 15.0 110.33 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.486 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 8.4 p -93.07 115.21 27.89 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.377 -0.601 . . . . 15.0 109.377 171.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 4.8 t -127.71 128.66 45.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.665 0.745 . . . . 15.0 109.983 -176.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.1 m95 -114.6 16.23 17.6 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.183 0.992 . . . . 15.0 109.345 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -119.82 129.83 54.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.792 -1.549 . . . . 15.0 108.246 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -60.34 123.79 74.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.719 0.637 . . . . 15.0 112.719 -170.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.88 123.47 12.32 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.762 2.308 . . . . 15.0 111.891 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 15.0 111.975 -174.277 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 96.9 m95 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.0 m -89.59 97.75 11.38 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 109.617 -0.512 . . . . 15.0 109.617 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.88 91.96 8.82 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 107.31 -1.367 . . . . 15.0 107.31 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.544 ' HB3' ' CE2' ' A' ' 446' ' ' TYR . 26.9 ttt180 -105.09 105.9 16.16 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.221 -1.029 . . . . 15.0 108.221 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -90.09 101.43 14.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.107 -0.951 . . . . 15.0 110.666 -171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.6 p -89.7 135.59 33.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.595 -0.729 . . . . 15.0 110.895 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.38 14.68 0.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 15.0 112.377 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.87 4.04 31.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 15.0 109.183 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.28 8.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.284 -0.871 . . . . 15.0 112.044 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 128.37 12.19 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.973 0.416 . . . . 15.0 111.289 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -104.13 130.02 51.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.236 -0.653 . . . . 15.0 109.236 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.546 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 27.4 p90 -121.59 134.67 55.01 Favored 'General case' 0 CA--C 1.502 -0.865 0 C-N-CA 120.066 -0.653 . . . . 15.0 111.358 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.9 m-85 -108.53 89.6 3.04 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.87 176.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HB ' ' A' ' 436' ' ' THR . 20.1 t80 -89.53 129.83 35.94 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.675 0.75 . . . . 15.0 112.062 170.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.519 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 52.0 t-20 -140.19 149.56 43.1 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.841 -1.072 . . . . 15.0 108.832 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.537 ' HA ' HD22 ' A' ' 453' ' ' LEU . 16.2 m120 -87.42 -1.33 57.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.314 0.578 . . . . 15.0 109.462 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -67.11 -31.81 72.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.832 171.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.2 p -120.14 -16.2 8.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.794 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mm? 60.42 29.13 18.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.523 0.678 . . . . 15.0 110.012 -167.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.02 133.36 55.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.079 -0.964 . . . . 15.0 111.156 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 9.3 t -89.77 111.36 22.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.775 -1.195 . . . . 15.0 107.775 167.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 27.9 p -93.07 124.09 36.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.33 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -107.21 0.88 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.044 0.926 . . . . 15.0 109.073 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.39 133.18 53.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.633 -1.617 . . . . 15.0 106.633 163.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.85 122.83 79.25 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 112.703 0.631 . . . . 15.0 112.703 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.08 135.57 59.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.144 2.563 . . . . 15.0 111.388 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.583 -172.635 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 37.9 m95 . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.339 -0.615 . . . . 15.0 109.339 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.8 m -89.79 97.36 11.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.24 97.23 11.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.311 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.562 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.4 ttt180 -128.19 115.36 18.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.394 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -91.67 114.77 27.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.682 0.753 . . . . 15.0 111.266 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.9 p -89.67 140.63 29.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.436 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.37 6.5 0.77 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.108 0.781 . . . . 15.0 113.108 -171.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.73 -4.48 49.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.626 0.727 . . . . 15.0 109.955 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 24.84 28.12 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.569 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.815 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 5.1 ptpp? -135.82 134.45 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.113 0.483 . . . . 15.0 110.091 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.6 m -113.3 114.31 26.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.972 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.778 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 22.5 p90 -97.23 124.99 41.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 119.914 -0.714 . . . . 15.0 111.003 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.0 m-85 -98.64 94.49 6.68 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.128 -0.942 . . . . 15.0 108.873 170.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -88.91 121.5 31.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.011 0.91 . . . . 15.0 110.311 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.593 HD21 ' CB ' ' A' ' 451' ' ' ARG . 5.1 t-20 -106.75 142.05 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.093 -1.412 . . . . 15.0 112.329 -173.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -102.95 -3.68 25.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.782 -0.644 . . . . 15.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.593 ' CB ' HD21 ' A' ' 449' ' ' ASN . 24.1 mmm180 -67.91 -55.7 11.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.907 0.384 . . . . 15.0 111.296 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 454' ' ' GLU . 6.0 t -120.11 0.5 10.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.2 mm? 69.16 71.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.43 0.634 . . . . 15.0 110.691 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 452' ' ' THR . 24.7 mt-10 -136.0 141.45 44.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.283 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 52.6 p -100.38 109.4 21.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.595 -0.891 . . . . 15.0 108.595 168.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.4 p -101.7 111.1 23.24 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.974 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.815 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 35.8 m95 -100.0 -7.31 25.24 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.192 0.996 . . . . 15.0 108.401 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -102.48 134.11 46.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.545 -1.661 . . . . 15.0 106.671 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -59.98 123.62 73.08 Favored Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -54.83 123.33 13.48 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.666 2.244 . . . . 15.0 110.867 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.434 -0.348 . . . . 15.0 111.869 -173.331 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.473 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 57.7 m95 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.371 -0.603 . . . . 15.0 109.371 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.0 m -90.51 100.74 13.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.88 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -90.04 94.06 9.64 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.583 -0.895 . . . . 15.0 108.583 169.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.46 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 35.7 ttt180 -105.0 118.13 35.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.92 108.51 19.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.555 -0.748 . . . . 15.0 109.96 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.594 ' OG1' ' HG3' ' A' ' 444' ' ' LYS . 35.2 p -89.71 149.96 22.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.88 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.33 40.23 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.396 0.888 . . . . 15.0 113.396 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.06 -11.97 45.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.48 0.657 . . . . 15.0 110.734 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.22 24.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.974 -0.632 . . . . 15.0 111.547 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.702 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.6 ptpp? -120.95 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.358 0.599 . . . . 15.0 110.663 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 113.58 25.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.171 174.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 29.7 p90 -105.52 139.09 40.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.727 -0.789 . . . . 15.0 110.551 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 41.2 m-85 -105.4 103.54 13.09 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.029 -0.987 . . . . 15.0 109.578 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.75 118.15 28.24 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 122.071 0.939 . . . . 15.0 109.59 169.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.02 HD21 ' HB2' ' A' ' 451' ' ' ARG . 4.3 t-20 -92.88 131.47 37.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.951 -1.477 . . . . 15.0 111.314 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.96 -2.26 27.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.651 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.02 ' HB2' HD21 ' A' ' 449' ' ' ASN . 18.1 mmt180 -66.13 -52.28 50.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.866 0.365 . . . . 15.0 111.176 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.521 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.8 OUTLIER -120.11 0.05 10.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.63 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.1 mm? 67.11 74.99 0.32 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.765 0.793 . . . . 15.0 109.579 -168.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.7 mt-10 -132.62 125.49 30.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.885 -1.052 . . . . 15.0 110.183 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 t -89.86 112.75 24.19 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.095 -1.076 . . . . 15.0 108.095 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.3 t -129.38 125.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.92 0.867 . . . . 15.0 109.939 -173.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.702 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 28.1 m95 -114.88 20.14 15.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.353 1.073 . . . . 15.0 109.522 -168.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.03 146.15 41.55 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.531 -1.668 . . . . 15.0 107.919 167.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -69.72 120.92 80.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.842 0.354 . . . . 15.0 111.446 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -45.43 133.19 12.57 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.154 3.236 . . . . 15.0 113.694 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.791 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.2 m95 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 108.856 -0.794 . . . . 15.0 108.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.732 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 53.3 m -89.91 100.64 13.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 15.0 111.481 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.74 93.51 9.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.073 -0.967 . . . . 15.0 108.496 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -110.78 113.03 25.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 10.4 ptmm? -91.97 108.04 19.64 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.407 -175.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.3 p -89.69 144.3 26.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.894 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.39 9.68 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.227 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.39 0.4 25.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 15.0 109.626 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.35 24.08 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.885 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.632 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.4 ptpp? -150.07 133.98 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.003 0.43 . . . . 15.0 111.056 -175.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -105.39 117.74 34.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.678 176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 16.6 p90 -105.31 126.71 52.41 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.977 -0.689 . . . . 15.0 110.855 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.732 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -98.56 89.75 4.51 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.001 -1.0 . . . . 15.0 108.744 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.54 ' O ' ' HB ' ' A' ' 436' ' ' THR . 8.3 t80 -89.09 123.03 33.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.768 0.794 . . . . 15.0 109.811 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.792 HD21 ' HB2' ' A' ' 451' ' ' ARG . 2.4 t-20 -119.88 139.82 51.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.546 -1.206 . . . . 15.0 112.101 -172.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.431 ' HA ' HD22 ' A' ' 453' ' ' LEU . 3.8 t30 -91.72 -12.75 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.062 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.792 ' HB2' HD21 ' A' ' 449' ' ' ASN . 14.5 mmt180 -60.03 -48.04 83.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.677 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 454' ' ' GLU . 5.3 t -120.27 0.1 10.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.746 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 450' ' ' ASN . 2.9 mm? 65.36 35.53 7.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.149 0.499 . . . . 15.0 111.062 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.424 ' HB2' HG23 ' A' ' 452' ' ' THR . 12.8 mt-10 -102.69 134.1 46.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.069 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.824 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 2.7 p -93.35 102.27 14.52 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.26 -0.882 . . . . 15.0 108.781 168.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 29.4 p -99.53 121.74 41.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.844 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.824 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 43.1 m95 -108.08 -0.32 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.856 0.836 . . . . 15.0 109.53 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.98 136.66 49.65 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.012 -1.477 . . . . 15.0 107.012 163.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -59.93 123.15 70.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.252 0.345 . . . . 15.0 111.473 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -45.5 137.0 11.73 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.721 2.948 . . . . 15.0 112.961 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.041 0.448 . . . . 15.0 110.422 -177.344 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 57.8 m95 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.695 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.9 m -89.93 105.34 17.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 15.0 111.302 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.653 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 3.9 pt-20 -89.86 90.04 8.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.581 0.705 . . . . 15.0 109.864 171.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.409 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -93.91 108.17 19.99 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.565 -0.902 . . . . 15.0 108.565 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 445' ' ' THR . 7.9 ptpp? -89.92 104.1 16.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.86 0.838 . . . . 15.0 110.608 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 150.24 22.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.537 -1.211 . . . . 15.0 110.326 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.08 12.1 0.6 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.421 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.0 -4.71 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.81 9.49 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.985 -1.007 . . . . 15.0 111.943 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -144.11 120.81 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 15.0 111.859 -175.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.4 p -89.84 93.5 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.485 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.602 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 19.6 p90 -96.27 133.16 40.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.762 -0.775 . . . . 15.0 111.138 -176.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -102.81 95.96 6.53 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.787 -1.097 . . . . 15.0 109.628 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -89.06 127.72 35.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.771 0.796 . . . . 15.0 109.308 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.6 HD21 ' HG2' ' A' ' 451' ' ' ARG . 2.4 t-20 -121.9 140.59 52.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.225 -1.352 . . . . 15.0 111.794 -170.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -93.6 -8.53 40.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.724 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.1 mmm180 -60.94 -50.54 72.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.895 0.379 . . . . 15.0 110.687 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -120.06 0.06 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.03 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 65.95 34.06 7.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.48 0.657 . . . . 15.0 109.738 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.26 135.42 47.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.699 -1.137 . . . . 15.0 110.921 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.531 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 50.5 p -99.26 110.7 23.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.406 -0.59 . . . . 15.0 109.406 172.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 37.0 p -99.81 112.82 25.05 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.687 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.602 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 41.8 m95 -98.29 6.15 47.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.572 1.177 . . . . 15.0 108.508 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.5 132.58 55.63 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 112.988 -1.914 . . . . 15.0 106.996 161.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -63.77 116.72 28.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 111.858 0.318 . . . . 15.0 111.858 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.67 125.85 18.95 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.873 2.382 . . . . 15.0 112.41 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 4.7 pm0 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 15.0 112.06 -175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 45.4 m95 . . . . . 0 C--O 1.231 0.108 0 N-CA-C 109.848 -0.427 . . . . 15.0 109.848 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 63.1 m -92.0 103.97 16.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.647 -0.251 . . . . 15.0 110.483 176.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -91.78 89.93 7.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.785 0.802 . . . . 15.0 109.035 174.342 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -102.41 120.87 41.24 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.154 -0.618 . . . . 15.0 110.399 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.06 108.27 19.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.353 -0.84 . . . . 15.0 108.755 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.0 p -89.63 150.0 22.57 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.844 -0.617 . . . . 15.0 110.638 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.58 40.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.791 -0.64 . . . . 15.0 112.082 -173.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.87 -7.68 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.504 0.668 . . . . 15.0 109.639 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 32.94 9.21 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.592 -0.731 . . . . 15.0 112.092 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -122.03 115.06 21.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.327 -0.249 . . . . 15.0 110.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 95.58 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.884 -0.784 . . . . 15.0 108.884 170.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.7 p90 -101.03 135.46 42.45 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.548 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.2 m-85 -101.01 99.49 9.95 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.711 -1.131 . . . . 15.0 109.288 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -89.09 118.64 28.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.669 0.747 . . . . 15.0 109.848 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.893 HD21 ' HB2' ' A' ' 451' ' ' ARG . 2.9 t-20 -90.05 137.41 32.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.328 -1.305 . . . . 15.0 112.304 -173.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.94 -0.09 27.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.813 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.893 ' HB2' HD21 ' A' ' 449' ' ' ASN . 4.7 mtm-85 -68.83 -61.36 1.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.416 0.627 . . . . 15.0 110.783 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.834 . . . . 15.0 110.958 -173.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.9 mm? 71.2 74.95 0.18 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.51 -172.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 38.0 mt-10 -133.9 128.3 34.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 15.0 110.088 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.1 t -93.49 110.42 22.0 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.016 -0.735 . . . . 15.0 109.016 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.0 p -116.49 113.56 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 15.0 110.421 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 27.4 m95 -107.06 8.85 30.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.364 1.078 . . . . 15.0 109.36 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.94 150.12 25.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.109 -1.86 . . . . 15.0 107.836 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -71.35 115.2 34.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.13 130.55 24.48 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.503 2.136 . . . . 15.0 111.698 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.512 0.672 . . . . 15.0 110.051 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 54.8 m95 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.015 -0.365 . . . . 15.0 110.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.692 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.7 m -89.94 96.68 10.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.431 -0.349 . . . . 15.0 110.341 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -90.39 91.55 8.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.506 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.1 ttt180 -122.29 116.38 23.99 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 -177.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 120.22 39.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.909 0.861 . . . . 15.0 110.568 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.3 p -89.61 139.27 30.71 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.224 -0.898 . . . . 15.0 109.899 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.47 2.65 2.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.142 0.496 . . . . 15.0 111.301 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.54 -7.61 45.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.495 0.664 . . . . 15.0 110.023 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 29.87 13.4 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.479 -0.782 . . . . 15.0 112.5 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.768 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.5 ptpp? -144.19 127.45 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 15.0 111.001 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.2 m -96.39 128.83 43.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.796 -0.638 . . . . 15.0 109.826 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 20.7 p90 -119.54 136.87 54.16 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.048 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.692 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -107.1 98.66 8.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 114.892 -1.049 . . . . 15.0 109.341 173.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.23 118.26 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.132 0.967 . . . . 15.0 109.994 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 1.021 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -96.7 133.85 40.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.044 -1.435 . . . . 15.0 112.157 -172.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -97.95 -3.76 37.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.812 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.021 ' HB2' HD21 ' A' ' 449' ' ' ASN . 31.7 mtp180 -70.86 -50.24 37.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.745 0.307 . . . . 15.0 111.511 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 1.041 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 1.5 m -120.19 0.0 10.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.524 -0.307 . . . . 15.0 110.846 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.5 mm? 73.36 35.99 0.85 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.53 0.681 . . . . 15.0 109.522 -172.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 1.041 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.0 mt-10 -93.39 124.59 37.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.947 . . . . 15.0 110.84 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.0 t -90.63 114.52 26.81 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 t -127.69 125.0 39.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.59 0.71 . . . . 15.0 109.847 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.768 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 24.3 m95 -109.63 11.32 24.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.329 1.062 . . . . 15.0 109.207 -171.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -111.68 135.4 52.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.507 164.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -61.13 121.55 63.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 111.888 0.329 . . . . 15.0 111.888 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.17 124.96 11.09 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.636 2.89 . . . . 15.0 112.863 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.124 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.786 0.327 . . . . 15.0 110.559 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.06 -7.92 59.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 15.0 111.56 -168.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.726 ' HD1' ' HG ' ' A' ' 463' ' ' LEU . 43.9 m95 -90.02 134.07 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.413 -0.588 . . . . 15.0 109.413 -177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.7 m -89.74 104.42 16.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 15.0 110.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.8 pt-20 -90.12 98.01 11.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.738 -1.119 . . . . 15.0 109.239 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.555 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.5 ttt180 -115.04 113.47 24.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.417 -0.81 . . . . 15.0 109.662 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -89.71 98.61 11.87 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.906 0.86 . . . . 15.0 110.113 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 37.2 p -89.94 147.18 23.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.78 -1.1 . . . . 15.0 111.903 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.29 -1.32 2.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.107 -0.952 . . . . 15.0 111.427 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.77 -10.4 36.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 15.0 109.697 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.89 25.48 27.06 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.334 -0.848 . . . . 15.0 111.839 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -145.93 138.24 25.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 15.0 110.793 -176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 104.82 16.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.683 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 3.3 p90 -97.13 141.46 30.24 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.488 -0.885 . . . . 15.0 111.197 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.3 m-85 -109.44 89.71 3.08 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.12 -0.946 . . . . 15.0 108.663 170.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -90.01 134.65 34.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.169 0.509 . . . . 15.0 111.567 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 41.3 t-20 -138.77 146.98 42.05 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.137 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.07 2.35 54.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.172 -0.922 . . . . 15.0 108.95 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.56 -50.28 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.14 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.3 p -120.36 0.27 10.54 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.118 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.9 mm? 66.26 27.21 10.26 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.397 0.617 . . . . 15.0 109.628 -170.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 45.0 mt-10 -103.87 149.76 24.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.589 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.6 p -116.73 113.88 23.22 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.566 173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 43.3 p -94.29 106.92 18.89 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.977 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.683 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 28.4 m95 -91.44 1.19 57.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.081 0.943 . . . . 15.0 108.807 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -112.45 137.98 49.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 113.979 -1.464 . . . . 15.0 107.763 164.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 60.5 mttp -71.45 114.96 32.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.005 0.372 . . . . 15.0 112.005 -171.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 14.0 Cg_exo -69.6 151.84 70.03 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.961 2.441 . . . . 15.0 112.64 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -86.2 -30.95 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.114 -0.493 . . . . 15.0 110.407 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.91 17.6 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.974 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.726 ' HG ' ' HD1' ' A' ' 435' ' ' TRP . 9.8 tt -68.02 -32.55 73.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.274 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.631 ' HA ' ' HE2' ' A' ' 464' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.19 -0.909 . . . . 15.0 110.655 -176.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 110.123 -0.325 . . . . 15.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.558 ' HA ' ' OD1' ' A' ' 450' ' ' ASN . 8.6 mm-40 -80.19 -20.75 44.02 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.204 0.526 . . . . 15.0 110.094 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.503 ' CD1' HD13 ' A' ' 463' ' ' LEU . 55.3 m95 -124.33 110.3 14.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.033 175.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 83.2 m -89.85 98.54 11.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.849 -0.34 . . . . 15.0 110.357 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -90.35 90.21 7.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 108.552 -0.907 . . . . 15.0 108.552 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.565 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -105.96 115.89 31.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.466 0.651 . . . . 15.0 109.927 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 445' ' ' THR . 2.9 ptpt -91.15 109.07 20.32 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.552 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 61.6 p -89.64 150.15 22.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.067 -0.97 . . . . 15.0 110.652 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.71 -10.8 21.28 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.218 0.451 . . . . 15.0 112.218 -174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.55 -3.88 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 15.0 109.795 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.1 26.74 27.82 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.508 -0.769 . . . . 15.0 112.009 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -128.34 118.67 23.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.178 0.513 . . . . 15.0 111.445 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.6 p -92.07 99.8 12.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.353 -0.839 . . . . 15.0 110.026 173.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.565 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 39.2 p90 -92.82 137.14 32.62 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.856 -0.738 . . . . 15.0 110.204 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.677 ' HA ' ' O ' ' A' ' 436' ' ' THR . 11.5 m-85 -105.93 97.91 7.66 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.732 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -89.08 120.73 30.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.098 0.951 . . . . 15.0 109.377 170.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.866 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -108.0 137.69 45.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.876 -1.511 . . . . 15.0 111.559 -173.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.558 ' OD1' ' HA ' ' A' ' 434' ' ' GLU . 30.9 p-10 -95.35 -12.24 26.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 15.0 111.317 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.866 ' HB2' HD21 ' A' ' 449' ' ' ASN . 21.2 mmm180 -62.51 -47.23 84.85 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.165 0.507 . . . . 15.0 110.609 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 1.037 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.6 OUTLIER -120.38 0.44 10.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.019 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.0 mm? 67.16 31.65 6.6 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.451 0.643 . . . . 15.0 109.978 -173.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 1.037 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -92.56 125.2 37.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.216 -0.902 . . . . 15.0 110.913 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.9 t -92.35 104.46 16.8 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.792 -1.188 . . . . 15.0 107.792 170.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.8 t -120.16 131.27 54.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.594 0.712 . . . . 15.0 109.973 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 24.2 m95 -113.47 15.22 19.11 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 122.357 1.075 . . . . 15.0 108.718 -170.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -108.95 132.75 53.77 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.3 -1.773 . . . . 15.0 108.361 169.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -66.8 115.21 22.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 123.393 0.433 . . . . 15.0 112.048 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.94 132.52 52.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.588 2.859 . . . . 15.0 112.812 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -98.19 -8.55 27.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.965 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.07 -3.12 58.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.263 0.554 . . . . 15.0 109.909 173.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 435' ' ' TRP . 52.4 tp -94.48 -2.47 51.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.541 174.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.58 -0.736 . . . . 15.0 109.378 178.585 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.634 0.254 . . . . 15.0 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.653 ' HG3' HD21 ' A' ' 449' ' ' ASN . 12.7 tp10 -71.91 -48.92 42.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 15.0 111.363 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -91.2 150.22 21.45 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.691 -0.686 . . . . 15.0 109.841 -174.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.709 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 40.5 m -89.71 103.68 16.31 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.378 -0.529 . . . . 15.0 109.99 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.635 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.5 OUTLIER -89.76 89.71 7.89 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.965 0.888 . . . . 15.0 108.723 173.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.486 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 75.3 ttt180 -95.79 112.61 24.29 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.297 -0.865 . . . . 15.0 109.801 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.91 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.62 107.13 18.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.129 -0.942 . . . . 15.0 109.775 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.7 p -89.5 147.46 23.97 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.37 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.86 -14.42 45.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.17 -173.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -5.25 35.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.266 0.555 . . . . 15.0 110.698 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 21.99 36.9 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.614 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -113.59 111.34 21.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.805 0.336 . . . . 15.0 110.602 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 p -95.62 115.42 27.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.15 173.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 23.8 p90 -121.93 140.33 52.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.145 -0.622 . . . . 15.0 110.669 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.709 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.6 m-85 -105.26 89.68 3.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.442 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.464 ' O ' ' HB ' ' A' ' 436' ' ' THR . 13.7 t80 -89.72 132.19 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.036 0.446 . . . . 15.0 110.699 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.653 HD21 ' HG3' ' A' ' 434' ' ' GLU . 38.0 t-20 -141.4 148.67 39.98 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.881 -0.6 . . . . 15.0 110.039 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD22 ' A' ' 453' ' ' LEU . 11.5 m120 -87.22 3.27 47.24 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.282 -176.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HE ' ' HA ' ' A' ' 451' ' ' ARG . 8.7 mmp_? -59.56 -52.96 63.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.076 -0.965 . . . . 15.0 110.192 173.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 454' ' ' GLU . 2.6 t -120.49 0.42 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.161 176.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.2 mm? 65.36 30.99 10.78 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.321 0.581 . . . . 15.0 110.395 -175.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 452' ' ' THR . 6.3 mm-40 -117.29 147.11 42.87 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.211 -0.904 . . . . 15.0 110.394 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.4 p -110.09 115.98 30.74 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.821 -0.627 . . . . 15.0 109.801 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.1 p -95.44 110.5 22.54 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.45 -0.795 . . . . 15.0 109.565 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 33.8 m95 -93.51 -1.04 56.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.849 0.833 . . . . 15.0 109.327 -177.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -111.52 143.02 43.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.299 -1.319 . . . . 15.0 108.03 164.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 9.0 mtpm? -61.13 114.85 11.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 123.161 0.288 . . . . 15.0 111.531 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -63.86 135.45 48.25 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.633 2.222 . . . . 15.0 112.995 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.563 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 3.3 pm0 -70.76 -12.39 61.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.813 177.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.77 -17.56 58.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.286 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.5 tp -120.05 -32.91 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.985 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 10.0 mtpm? . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.258 -0.877 . . . . 15.0 110.945 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.2 0.524 . . . . 15.0 110.666 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -25.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.998 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.523 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 53.0 m95 -106.59 101.85 11.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 171.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.741 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 60.3 m -89.98 99.66 12.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.659 -0.417 . . . . 15.0 110.553 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -89.85 91.24 8.53 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.3 -1.0 . . . . 15.0 108.3 172.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.521 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 53.9 ttt180 -108.65 112.25 24.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.507 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 30.1 ttmt -90.93 108.2 19.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.428 -0.806 . . . . 15.0 110.113 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.9 p -89.66 149.97 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.478 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.53 0.19 13.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 111.127 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.67 -0.9 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.552 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.05 27.41 40.91 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.509 -0.768 . . . . 15.0 111.334 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -126.71 121.03 30.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.742 0.306 . . . . 15.0 110.497 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -103.46 93.09 4.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 25.0 p90 -92.83 126.52 37.95 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 119.285 -0.966 . . . . 15.0 110.927 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.741 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -97.07 101.4 12.96 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 114.77 -1.105 . . . . 15.0 108.266 171.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -88.76 116.43 27.02 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.976 0.893 . . . . 15.0 109.413 172.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.008 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.4 t-20 -89.9 123.48 33.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.857 -1.52 . . . . 15.0 110.969 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -94.14 -8.33 39.8 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.214 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.008 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.1 mmm-85 -65.35 -49.48 69.22 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.216 0.532 . . . . 15.0 110.7 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 3.4 m -120.02 0.22 10.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.202 -177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.6 mm? 70.42 32.69 2.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.489 0.661 . . . . 15.0 109.84 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 9.7 mm-40 -95.65 132.13 41.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.674 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.751 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 33.3 p -89.92 111.78 22.95 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 173.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 2.7 p -115.48 113.71 24.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.02 -174.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.751 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 24.0 m95 -107.72 14.38 25.63 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 122.772 1.273 . . . . 15.0 108.369 -176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -113.96 150.03 34.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 112.508 -2.133 . . . . 15.0 107.376 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.04 120.37 73.76 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 15.0 111.367 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.08 125.25 18.47 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.188 2.592 . . . . 15.0 112.154 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -87.62 -17.22 32.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.676 -175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.0 0.429 . . . . 15.0 110.566 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.6 tp -95.35 -3.23 47.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.187 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.797 -0.621 . . . . 15.0 110.241 -179.087 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.907 0.384 . . . . 15.0 110.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.493 ' CG ' HD21 ' A' ' 449' ' ' ASN . 1.6 pm0 -79.56 -6.48 57.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.207 -0.452 . . . . 15.0 112.158 -177.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.45 ' HB2' HD13 ' A' ' 463' ' ' LEU . 78.6 m95 -89.63 110.99 21.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.953 -0.758 . . . . 15.0 108.953 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.815 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 43.9 m -90.01 105.74 18.01 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.953 -0.299 . . . . 15.0 111.197 -177.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 54.9 tt0 -89.85 93.04 9.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.367 1.042 . . . . 15.0 108.48 169.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.496 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.5 ttt180 -102.24 126.65 49.29 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.019 -0.734 . . . . 15.0 109.019 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -89.79 111.89 23.03 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.373 -176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.5 p -89.64 149.65 22.71 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.381 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.91 -4.65 7.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.732 -0.667 . . . . 15.0 112.218 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.08 -6.54 53.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 15.0 109.944 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.79 27.91 20.31 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.677 -0.692 . . . . 15.0 111.538 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -132.21 120.36 22.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 15.0 111.622 -175.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.568 ' HB ' ' HG3' ' A' ' 437' ' ' GLU . 13.2 p -89.9 106.8 18.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.403 -0.817 . . . . 15.0 109.606 172.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.566 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.1 p90 -96.15 124.99 40.37 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 119.982 -0.687 . . . . 15.0 110.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.815 ' HA ' ' O ' ' A' ' 436' ' ' THR . 1.8 m-85 -95.69 89.54 5.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 109.327 -0.619 . . . . 15.0 109.327 174.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.84 127.66 36.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.161 0.505 . . . . 15.0 109.966 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.493 HD21 ' CG ' ' A' ' 434' ' ' GLU . 46.8 t-20 -134.61 144.21 47.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 15.0 110.034 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -85.73 -2.34 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 15.0 109.597 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.435 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 33.2 mmt180 -59.66 -47.37 85.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.422 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 4.9 p -120.17 -1.62 10.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.555 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 61.35 24.91 14.95 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.54 0.686 . . . . 15.0 109.961 -171.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 52.1 mm-40 -108.87 148.54 30.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.96 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 51.0 p -113.66 116.17 29.03 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.233 -0.894 . . . . 15.0 109.362 173.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 76.8 p -100.49 124.38 45.95 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.794 -0.817 . . . . 15.0 108.794 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 34.0 m95 -104.04 11.14 35.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.415 1.102 . . . . 15.0 109.166 -173.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -120.0 143.4 48.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.254 -1.794 . . . . 15.0 107.383 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.659 ' HG2' ' OH ' ' A' ' 447' ' ' TYR . 64.9 mttm -59.92 113.7 7.93 Favored Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 117.944 0.338 . . . . 15.0 111.366 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.11 134.16 19.04 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.553 2.169 . . . . 15.0 111.919 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.77 -8.89 59.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.23 0.538 . . . . 15.0 110.351 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -79.46 -7.5 58.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 15.0 110.225 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 435' ' ' TRP . 45.5 tp -81.69 -7.49 59.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 15.0 110.032 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 16.5 ttpp . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.791 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.176 0.512 . . . . 15.0 110.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.26 23.33 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.526 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 10.8 m95 -121.74 111.62 17.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.677 -0.692 . . . . 15.0 109.867 -172.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.559 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.8 m -90.11 107.29 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.379 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.578 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 7.8 pt-20 -96.43 93.26 6.72 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.542 0.687 . . . . 15.0 109.766 172.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.574 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 77.7 ttt180 -90.2 113.25 25.01 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.87 -0.789 . . . . 15.0 108.87 176.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 3.8 ttmp? -89.96 96.55 10.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.549 0.69 . . . . 15.0 109.696 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.8 p -89.72 146.46 24.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.96 -1.018 . . . . 15.0 111.101 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.72 3.74 2.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.791 -0.641 . . . . 15.0 111.332 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.38 3.51 5.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.64 0.733 . . . . 15.0 109.519 174.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 83.53 17.97 65.08 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.558 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -137.33 126.82 25.05 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.912 0.387 . . . . 15.0 110.714 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.6 m -104.25 99.12 8.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.026 -0.731 . . . . 15.0 109.026 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.574 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 46.5 p90 -89.85 134.2 34.33 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 119.743 -0.783 . . . . 15.0 111.473 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 9.3 m-85 -101.12 94.0 5.76 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.439 174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -88.81 119.0 28.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.912 0.863 . . . . 15.0 108.735 168.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.611 HD21 ' HG3' ' A' ' 451' ' ' ARG . 2.3 t-20 -108.11 142.36 38.43 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.107 -1.406 . . . . 15.0 112.272 -169.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -94.39 -8.54 38.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.291 -0.868 . . . . 15.0 110.739 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.611 ' HG3' HD21 ' A' ' 449' ' ' ASN . 2.1 mtm180 -60.28 -53.53 56.59 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.207 0.527 . . . . 15.0 110.37 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -119.98 0.18 10.73 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.351 -0.84 . . . . 15.0 111.971 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.7 mm? 70.67 31.97 2.67 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.386 0.612 . . . . 15.0 109.832 -176.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -96.98 135.61 38.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.979 -1.01 . . . . 15.0 111.229 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.0 t -96.23 101.89 13.6 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.98 -0.748 . . . . 15.0 108.98 172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 t -116.92 136.75 52.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.448 0.642 . . . . 15.0 109.983 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 23.5 m95 -114.56 18.86 16.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.549 1.166 . . . . 15.0 108.565 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -114.13 145.54 41.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 112.949 -1.932 . . . . 15.0 107.846 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -73.19 110.83 9.51 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 111.796 0.295 . . . . 15.0 111.796 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.05 141.16 56.77 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.094 2.529 . . . . 15.0 113.565 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -67.71 -19.47 65.15 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.443 -0.798 . . . . 15.0 111.666 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -70.97 -6.73 40.97 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.017 0.377 . . . . 15.0 112.017 -173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 21.2 tp -108.5 6.16 25.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.065 0.459 . . . . 15.0 110.604 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 53.2 tttm . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.584 -0.722 . . . . 15.0 110.57 -179.699 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 17.6 pt-20 -99.77 -20.26 16.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 15.0 111.822 -175.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 67.8 m95 -118.4 114.21 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 93.7 m -89.85 90.87 8.37 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.461 -0.57 . . . . 15.0 109.461 174.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 0.0 OUTLIER -89.99 89.72 7.83 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.552 0.692 . . . . 15.0 109.351 173.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.438 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 32.7 ttt180 -93.09 113.83 26.19 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.3 ptpp? -89.71 97.85 11.43 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.754 0.788 . . . . 15.0 110.266 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.4 p -89.56 148.02 23.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.847 -1.07 . . . . 15.0 110.534 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.42 -2.79 9.32 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.854 -0.612 . . . . 15.0 111.815 -173.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -74.1 1.55 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.434 0.635 . . . . 15.0 109.888 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 28.72 21.05 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.627 -0.715 . . . . 15.0 112.62 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -150.07 128.91 12.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.168 0.508 . . . . 15.0 112.013 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 439' ' ' LYS . 43.5 p -93.11 105.47 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.427 171.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 33.9 p90 -91.6 132.83 36.05 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 119.253 -0.979 . . . . 15.0 110.305 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 5.9 m-85 -104.48 97.76 7.64 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 114.918 -1.037 . . . . 15.0 109.922 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -88.99 123.1 33.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 15.0 109.332 167.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.991 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -102.14 141.81 34.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.899 -1.5 . . . . 15.0 112.033 -170.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -105.24 -3.92 22.29 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.964 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.991 ' HB2' HD21 ' A' ' 449' ' ' ASN . 93.7 mtt180 -62.0 -56.21 21.41 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.452 0.644 . . . . 15.0 110.214 175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.519 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.11 -0.07 10.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.347 -0.842 . . . . 15.0 111.026 -174.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.6 mm? 65.71 75.09 0.36 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.501 0.667 . . . . 15.0 109.434 -171.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.519 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 49.9 mt-10 -128.07 150.0 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.075 -0.966 . . . . 15.0 110.701 -173.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.1 t -114.36 110.14 19.43 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.332 -0.988 . . . . 15.0 108.332 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -131.9 132.39 43.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.814 0.816 . . . . 15.0 109.594 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.6 m95 -115.3 17.16 16.69 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 122.503 1.144 . . . . 15.0 109.015 -170.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -120.11 128.71 53.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.135 -1.848 . . . . 15.0 108.102 171.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 7.8 mtpm? -59.79 113.99 8.55 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.284 0.365 . . . . 15.0 111.9 -172.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.6 Cg_endo -58.36 141.97 97.35 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.24 2.627 . . . . 15.0 112.428 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -66.25 -17.57 64.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.972 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -63.04 -26.33 68.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -120.17 79.99 1.54 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.071 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.299 -0.864 . . . . 15.0 109.389 176.229 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.215 0.531 . . . . 15.0 110.358 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 451' ' ' ARG . 3.3 mp0 -95.09 -8.91 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.087 -169.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.63 ' HB2' HD12 ' A' ' 463' ' ' LEU . 16.2 m95 -127.65 109.27 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.087 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.616 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.6 m -90.67 102.51 15.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.356 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 6.7 pt-20 -90.08 98.87 12.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.733 0.778 . . . . 15.0 109.305 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -123.74 130.91 53.37 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.943 -1.026 . . . . 15.0 109.287 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -97.65 120.55 38.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.171 0.51 . . . . 15.0 110.508 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.2 p -89.44 150.21 22.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.306 -0.861 . . . . 15.0 109.536 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.53 7.17 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -86.06 -9.26 57.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.537 0.684 . . . . 15.0 109.498 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 42.49 5.25 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.481 -0.781 . . . . 15.0 112.243 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -139.81 128.53 23.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.742 0.306 . . . . 15.0 111.369 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.1 m -94.28 94.67 8.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.2 p90 -90.55 140.47 29.72 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.78 -0.768 . . . . 15.0 110.627 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.616 ' HA ' ' O ' ' A' ' 436' ' ' THR . 10.7 m-85 -105.42 101.14 10.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.152 -0.931 . . . . 15.0 109.45 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.71 121.24 30.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.324 1.059 . . . . 15.0 109.291 169.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.025 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -101.31 134.39 44.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 113.124 -1.853 . . . . 15.0 111.528 -174.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -100.97 -0.93 35.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.761 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.025 ' HB2' HD21 ' A' ' 449' ' ' ASN . 5.8 mmp_? -64.08 -53.1 54.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.411 0.624 . . . . 15.0 110.056 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.764 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.4 m -120.1 0.28 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.835 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 72.16 29.18 2.33 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.622 0.725 . . . . 15.0 109.197 -174.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.764 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 mm-40 -90.44 119.5 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.776 -1.102 . . . . 15.0 110.854 -174.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 106.56 18.56 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.376 -0.972 . . . . 15.0 108.376 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -120.31 134.04 55.34 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.576 0.703 . . . . 15.0 109.702 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.2 m95 -114.25 14.69 18.14 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 122.247 1.023 . . . . 15.0 109.556 -169.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 138.62 45.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.823 -1.535 . . . . 15.0 107.643 169.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.74 113.13 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.191 0.441 . . . . 15.0 112.191 -171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.15 128.31 8.95 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.762 2.308 . . . . 15.0 111.729 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 464' ' ' LYS . 55.7 tp60 -82.52 -4.7 57.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.108 0.48 . . . . 15.0 110.609 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.445 ' OE1' ' HZ2' ' A' ' 435' ' ' TRP . 31.8 tt0 -75.02 -4.68 39.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.935 0.398 . . . . 15.0 111.159 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 435' ' ' TRP . 1.6 tt -94.54 -28.8 15.23 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.528 -0.545 . . . . 15.0 109.528 177.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.457 ' HB2' ' NE2' ' A' ' 461' ' ' GLN . 71.2 mmtt . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.478 -0.772 . . . . 15.0 110.613 -172.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.669 0.271 . . . . 15.0 110.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.485 ' HG3' ' HD2' ' A' ' 451' ' ' ARG . 2.4 pm0 -78.06 -20.62 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.223 0.535 . . . . 15.0 109.676 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.443 ' HZ2' ' NH1' ' A' ' 451' ' ' ARG . 57.4 m95 -90.33 111.58 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.392 -0.966 . . . . 15.0 108.392 173.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.733 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 48.6 m -89.58 105.34 17.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.563 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 7.2 pt-20 -89.91 89.95 7.96 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 122.006 0.908 . . . . 15.0 108.632 170.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -92.65 118.94 31.57 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.364 -0.976 . . . . 15.0 108.364 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.665 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -90.06 111.2 22.23 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.994 0.902 . . . . 15.0 109.779 -175.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 71.2 p -89.62 147.56 23.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.713 -1.13 . . . . 15.0 110.463 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.18 -13.17 57.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.43 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.99 -3.25 38.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.383 0.611 . . . . 15.0 110.222 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 33.2 9.11 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.604 -0.726 . . . . 15.0 112.333 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -126.88 111.28 13.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.905 0.383 . . . . 15.0 111.527 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 p -90.1 92.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.819 -0.628 . . . . 15.0 109.533 170.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 14.3 p90 -96.76 130.04 44.08 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.421 -0.512 . . . . 15.0 110.492 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -94.08 89.62 6.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -89.08 122.04 32.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.443 0.639 . . . . 15.0 109.37 170.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.544 ' OD1' ' HB2' ' A' ' 451' ' ' ARG . 2.3 t-20 -127.49 150.09 49.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.991 -1.004 . . . . 15.0 112.044 -171.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -96.72 -2.55 44.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 114.693 -1.14 . . . . 15.0 111.524 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 73.9 mtp180 -70.17 -46.57 64.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.822 0.344 . . . . 15.0 110.589 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.5 p -120.08 -0.03 10.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.293 0.479 . . . . 15.0 112.293 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 62.41 38.33 12.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.329 0.585 . . . . 15.0 110.491 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -118.58 150.03 40.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.507 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 10.9 p -111.23 115.37 29.25 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.803 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 41.2 p -101.17 116.03 31.88 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.392 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 35.8 m95 -95.51 9.56 39.67 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.966 0.889 . . . . 15.0 109.809 -174.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -119.74 148.12 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 113.966 -1.47 . . . . 15.0 107.499 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.549 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.8 mtpm? -67.03 116.08 32.07 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 117.763 0.256 . . . . 15.0 111.482 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -68.38 113.43 3.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.45 2.1 . . . . 15.0 111.322 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.43 0.34 33.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.331 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -24.28 63.78 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.265 -1.013 . . . . 15.0 108.265 171.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 464' ' ' LYS . 36.0 tp -88.8 -73.5 0.5 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.957 -1.127 . . . . 15.0 107.957 169.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 464' ' ' LYS . 38.9 tptt . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.305 -0.861 . . . . 15.0 109.672 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.548 ' HB2' ' HG2' ' A' ' 451' ' ' ARG . 1.2 pm0 -89.87 -9.25 49.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.825 0.345 . . . . 15.0 111.11 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.873 ' CD1' ' HG ' ' A' ' 463' ' ' LEU . 32.4 m95 -121.18 117.89 28.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.957 -0.757 . . . . 15.0 108.957 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.634 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.5 m -89.74 97.16 11.03 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.612 -0.514 . . . . 15.0 109.612 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -90.23 90.42 8.08 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.913 -0.773 . . . . 15.0 108.913 173.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 28.0 ttt180 -116.11 122.26 44.58 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.771 -0.65 . . . . 15.0 109.813 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.931 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.63 118.56 29.34 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.625 179.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.7 p -89.74 150.1 22.45 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.45 -0.795 . . . . 15.0 110.094 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.83 -0.74 2.38 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.415 0.524 . . . . 15.0 112.415 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 21.0 t70 -88.39 -4.61 58.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.585 0.707 . . . . 15.0 109.802 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 30.92 11.7 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.604 -0.725 . . . . 15.0 111.842 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.2 mttm -119.36 115.1 23.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.542 0.21 . . . . 15.0 110.82 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.8 p -90.04 94.24 9.71 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.447 -0.575 . . . . 15.0 109.447 170.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 34.4 p90 -89.85 141.86 28.24 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 119.878 -0.729 . . . . 15.0 110.013 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.634 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.1 m-85 -111.25 101.58 10.06 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -89.06 113.0 24.08 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.921 0.867 . . . . 15.0 109.007 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.057 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -90.07 134.22 34.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.019 -1.446 . . . . 15.0 112.067 -173.122 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -6.25 28.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.705 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.057 ' HB2' HD21 ' A' ' 449' ' ' ASN . 34.4 mmt180 -65.7 -54.13 31.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.102 0.477 . . . . 15.0 110.428 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.855 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.25 0.3 10.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.924 -0.58 . . . . 15.0 111.225 -177.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.3 mm? 72.69 40.69 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.476 0.655 . . . . 15.0 109.55 -175.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.855 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.3 mt-10 -99.73 125.88 45.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.108 -0.951 . . . . 15.0 110.661 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 t -92.18 111.6 23.22 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -132.14 130.75 41.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.651 0.739 . . . . 15.0 109.775 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.605 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 24.4 m95 -111.16 20.01 17.82 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.375 1.083 . . . . 15.0 109.3 -170.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -112.77 145.43 40.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 113.224 -1.807 . . . . 15.0 107.465 171.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.21 113.69 19.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 121.129 -0.229 . . . . 15.0 111.18 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.37 130.68 32.9 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.06 2.506 . . . . 15.0 112.448 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.49 -20.59 33.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.781 -0.645 . . . . 15.0 110.506 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.1 pm0 -88.73 8.61 27.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 15.0 111.069 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.873 ' HG ' ' CD1' ' A' ' 435' ' ' TRP . 5.6 tt -71.21 -27.09 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 176.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 51.6 tttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.638 -0.696 . . . . 15.0 110.018 -179.787 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.767 0.317 . . . . 15.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.55 -26.09 66.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.479 -0.328 . . . . 15.0 111.606 -172.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -118.72 108.55 15.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.656 -0.498 . . . . 15.0 109.656 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.2 m -89.53 100.62 13.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.398 -0.365 . . . . 15.0 110.273 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.3 pt-20 -90.0 90.28 8.07 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.291 171.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 39.3 ttm180 -100.39 121.19 41.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -89.83 105.96 18.15 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.874 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.9 p -89.75 138.54 31.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.97 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.2 10.53 0.56 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.0 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -86.95 -1.88 58.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.549 0.69 . . . . 15.0 109.362 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.12 32.82 10.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.305 -0.861 . . . . 15.0 112.334 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -146.98 126.33 13.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.553 0.692 . . . . 15.0 111.429 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m -97.75 113.96 25.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.719 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.679 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 31.8 p90 -98.35 135.13 40.39 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 119.656 -0.818 . . . . 15.0 110.332 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 436' ' ' THR . 51.5 m-85 -101.57 93.94 5.62 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.659 172.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -89.21 123.07 33.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.209 -0.905 . . . . 15.0 109.684 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 451' ' ' ARG . 6.1 t-20 -109.35 142.89 39.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.675 -1.148 . . . . 15.0 112.595 -172.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -101.55 -4.67 26.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.729 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.603 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 87.2 mtt180 -64.71 -54.85 25.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.179 0.514 . . . . 15.0 111.02 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.3 t -120.51 0.42 10.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.905 -0.588 . . . . 15.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 67.39 69.78 0.37 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.736 0.779 . . . . 15.0 110.039 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.03 132.25 38.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.719 -1.128 . . . . 15.0 110.856 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.461 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 11.6 p -97.8 111.13 23.54 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.072 -0.714 . . . . 15.0 109.072 171.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 t -122.67 128.23 50.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.395 0.616 . . . . 15.0 109.518 -174.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.679 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 27.6 m95 -112.09 2.37 16.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.898 0.856 . . . . 15.0 110.047 -170.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.89 132.72 46.16 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.359 -1.291 . . . . 15.0 107.959 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.57 119.8 46.87 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 111.899 0.333 . . . . 15.0 111.899 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.37 118.51 5.39 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.64 2.227 . . . . 15.0 111.785 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -84.43 -3.29 58.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.699 -175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -11.44 59.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 15.0 110.65 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 40.1 tp -82.36 -5.38 58.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.151 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.683 179.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.933 0.396 . . . . 15.0 110.771 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 0.5 OUTLIER -100.11 -13.32 19.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.572 -0.286 . . . . 15.0 111.425 -176.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.502 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 41.0 m95 -109.61 105.6 14.96 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.3 m -91.32 100.93 13.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.499 176.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -92.73 90.14 6.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.909 0.862 . . . . 15.0 109.317 170.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.457 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 73.9 ttt180 -90.37 126.85 36.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.512 -0.767 . . . . 15.0 110.066 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -89.75 105.69 17.97 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.493 -0.776 . . . . 15.0 109.393 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 57.6 p -89.52 143.93 26.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.069 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.07 28.44 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.988 0.423 . . . . 15.0 111.124 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.0 -5.93 29.86 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.36 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.56 35.93 9.03 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.894 -0.594 . . . . 15.0 112.404 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -142.06 125.09 16.23 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.912 0.387 . . . . 15.0 111.536 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 15.0 109.705 170.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.498 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 33.4 p90 -96.65 130.88 43.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.344 -0.942 . . . . 15.0 110.16 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 5.4 m-85 -95.94 101.94 13.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.069 175.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.91 114.74 25.86 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 122.086 0.946 . . . . 15.0 108.961 168.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.126 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.2 t-20 -90.39 130.41 36.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.667 -1.606 . . . . 15.0 111.669 -173.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -98.86 -1.91 39.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.844 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.126 ' HB2' HD21 ' A' ' 449' ' ' ASN . 30.6 mmt180 -71.27 -50.78 29.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.761 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.975 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.7 OUTLIER -120.08 0.09 10.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.207 -0.451 . . . . 15.0 111.202 -179.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.3 mm? 72.89 35.07 1.04 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.586 0.708 . . . . 15.0 109.608 -174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.975 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 41.6 mt-10 -91.55 141.93 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.119 -0.946 . . . . 15.0 111.049 -174.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 25.1 p -93.97 113.24 25.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 169.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.9 p -120.0 117.3 27.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 15.0 110.628 -173.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.498 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 32.6 m95 -116.25 5.26 13.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.822 0.82 . . . . 15.0 110.106 -174.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -109.88 133.84 52.72 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.655 -1.239 . . . . 15.0 107.655 165.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -60.25 117.76 27.07 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 112.254 0.465 . . . . 15.0 112.254 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -59.17 140.44 94.94 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.152 2.568 . . . . 15.0 112.839 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -87.58 -12.44 45.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.519 0.676 . . . . 15.0 109.469 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -70.18 -12.53 61.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.703 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.23 -7.91 40.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.655 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 464' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.891 -0.576 . . . . 15.0 110.186 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.828 0.346 . . . . 15.0 110.618 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.606 ' HB3' ' HG3' ' A' ' 451' ' ' ARG . 3.4 mp0 -92.45 -11.3 35.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.45 -0.341 . . . . 15.0 111.144 -171.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.585 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 67.2 m95 -125.71 103.59 7.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.002 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.0 m -89.89 92.98 9.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.769 0.318 . . . . 15.0 110.401 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 4.6 pt-20 -89.72 92.39 9.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.255 -0.646 . . . . 15.0 109.255 169.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD2' ' OH ' ' A' ' 446' ' ' TYR . 39.1 ttm180 -97.57 116.04 29.02 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.84 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -90.05 101.79 14.5 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.888 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 2.1 t -89.68 146.96 24.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.496 -0.774 . . . . 15.0 110.477 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.39 -3.37 8.11 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.516 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -73.07 -6.05 43.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.752 0.787 . . . . 15.0 109.573 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 25.7 25.8 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.368 -0.833 . . . . 15.0 112.747 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 60.0 mttp -127.13 125.6 41.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.671 -0.412 . . . . 15.0 111.265 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.85 90.09 4.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.716 -0.846 . . . . 15.0 108.716 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.549 ' OH ' ' HD2' ' A' ' 438' ' ' ARG . 38.9 p90 -90.46 139.05 31.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.456 0.646 . . . . 15.0 110.774 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 16.9 m-85 -103.36 98.27 8.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.835 -1.075 . . . . 15.0 109.785 176.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.89 120.24 30.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.038 0.923 . . . . 15.0 109.426 169.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.11 HD21 ' HB2' ' A' ' 451' ' ' ARG . 1.5 t-20 -93.03 136.9 32.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.012 -1.449 . . . . 15.0 111.94 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -102.03 -5.38 24.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.655 . . . . 15.0 110.947 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.11 ' HB2' HD21 ' A' ' 449' ' ' ASN . 54.9 mtp180 -73.68 -48.66 30.58 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.072 0.397 . . . . 15.0 112.072 -177.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.47 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.32 -0.13 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.56 0.219 . . . . 15.0 110.956 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 mm? 65.66 71.62 0.42 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.454 0.645 . . . . 15.0 109.446 -171.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.47 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 43.2 mt-10 -133.4 136.05 45.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 15.0 110.33 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.486 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 8.4 p -93.07 115.21 27.89 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.377 -0.601 . . . . 15.0 109.377 171.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 447' ' ' TYR . 4.8 t -127.71 128.66 45.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.665 0.745 . . . . 15.0 109.983 -176.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 25.1 m95 -114.6 16.23 17.6 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.183 0.992 . . . . 15.0 109.345 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -119.82 129.83 54.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 113.792 -1.549 . . . . 15.0 108.246 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -60.34 123.79 74.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 112.719 0.637 . . . . 15.0 112.719 -170.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.88 123.47 12.32 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.762 2.308 . . . . 15.0 111.891 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -73.52 -8.95 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 15.0 111.975 -174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.25 -9.2 53.72 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.045 -0.41 . . . . 15.0 111.568 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.5 tt -85.38 -55.42 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.9 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 65.5 mttm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.575 -0.726 . . . . 15.0 111.305 -172.239 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.233 0.54 . . . . 15.0 110.234 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.593 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 0.0 OUTLIER -115.89 9.66 15.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.554 . . . . 15.0 111.082 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 96.9 m95 -89.69 132.83 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 94.0 m -89.59 97.75 11.38 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 109.617 -0.512 . . . . 15.0 109.617 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.88 91.96 8.82 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 107.31 -1.367 . . . . 15.0 107.31 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.544 ' HB3' ' CE2' ' A' ' 446' ' ' TYR . 26.9 ttt180 -105.09 105.9 16.16 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.221 -1.029 . . . . 15.0 108.221 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -90.09 101.43 14.14 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.107 -0.951 . . . . 15.0 110.666 -171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.6 p -89.7 135.59 33.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.595 -0.729 . . . . 15.0 110.895 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.38 14.68 0.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 15.0 112.377 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.87 4.04 31.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 15.0 109.183 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.28 8.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.284 -0.871 . . . . 15.0 112.044 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 128.37 12.19 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.973 0.416 . . . . 15.0 111.289 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -104.13 130.02 51.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.236 -0.653 . . . . 15.0 109.236 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.546 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 27.4 p90 -121.59 134.67 55.01 Favored 'General case' 0 CA--C 1.502 -0.865 0 C-N-CA 120.066 -0.653 . . . . 15.0 111.358 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.9 m-85 -108.53 89.6 3.04 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.87 176.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HB ' ' A' ' 436' ' ' THR . 20.1 t80 -89.53 129.83 35.94 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.675 0.75 . . . . 15.0 112.062 170.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.519 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 52.0 t-20 -140.19 149.56 43.1 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.841 -1.072 . . . . 15.0 108.832 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.537 ' HA ' HD22 ' A' ' 453' ' ' LEU . 16.2 m120 -87.42 -1.33 57.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.314 0.578 . . . . 15.0 109.462 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.593 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 30.9 mtp180 -67.11 -31.81 72.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.832 171.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.2 p -120.14 -16.2 8.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.794 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mm? 60.42 29.13 18.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.523 0.678 . . . . 15.0 110.012 -167.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -121.02 133.36 55.25 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.079 -0.964 . . . . 15.0 111.156 -174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 9.3 t -89.77 111.36 22.33 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.775 -1.195 . . . . 15.0 107.775 167.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.612 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 27.9 p -93.07 124.09 36.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.33 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.546 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 53.5 m95 -107.21 0.88 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.044 0.926 . . . . 15.0 109.073 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.39 133.18 53.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.633 -1.617 . . . . 15.0 106.633 163.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.85 122.83 79.25 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 112.703 0.631 . . . . 15.0 112.703 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.08 135.57 59.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.144 2.563 . . . . 15.0 111.388 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -88.66 -17.29 30.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.583 -172.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.67 -12.7 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.606 -0.438 . . . . 15.0 111.421 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.19 1.06 54.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.067 0.46 . . . . 15.0 110.858 -176.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.661 -0.685 . . . . 15.0 109.737 174.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.027 0.441 . . . . 15.0 110.576 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.14 -16.18 38.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.95 -173.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.412 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 37.9 m95 -124.9 117.68 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.339 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.683 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.8 m -89.79 97.36 11.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -90.24 97.23 11.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.311 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.562 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.4 ttt180 -128.19 115.36 18.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.394 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -91.67 114.77 27.39 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.682 0.753 . . . . 15.0 111.266 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 38.9 p -89.67 140.63 29.38 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.436 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.37 6.5 0.77 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.108 0.781 . . . . 15.0 113.108 -171.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.73 -4.48 49.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.626 0.727 . . . . 15.0 109.955 176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 24.84 28.12 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.569 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.815 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 5.1 ptpp? -135.82 134.45 38.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.113 0.483 . . . . 15.0 110.091 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 4.6 m -113.3 114.31 26.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.972 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.778 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 22.5 p90 -97.23 124.99 41.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 C-N-CA 119.914 -0.714 . . . . 15.0 111.003 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.0 m-85 -98.64 94.49 6.68 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.128 -0.942 . . . . 15.0 108.873 170.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -88.91 121.5 31.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.011 0.91 . . . . 15.0 110.311 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.593 HD21 ' CB ' ' A' ' 451' ' ' ARG . 5.1 t-20 -106.75 142.05 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.093 -1.412 . . . . 15.0 112.329 -173.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -102.95 -3.68 25.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.782 -0.644 . . . . 15.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.593 ' CB ' HD21 ' A' ' 449' ' ' ASN . 24.1 mmm180 -67.91 -55.7 11.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.907 0.384 . . . . 15.0 111.296 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 454' ' ' GLU . 6.0 t -120.11 0.5 10.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.2 mm? 69.16 71.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.43 0.634 . . . . 15.0 110.691 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 452' ' ' THR . 24.7 mt-10 -136.0 141.45 44.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.27 -0.877 . . . . 15.0 110.283 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.66 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 52.6 p -100.38 109.4 21.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.595 -0.891 . . . . 15.0 108.595 168.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.4 p -101.7 111.1 23.24 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.806 -0.634 . . . . 15.0 109.974 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.815 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 35.8 m95 -100.0 -7.31 25.24 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.192 0.996 . . . . 15.0 108.401 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -102.48 134.11 46.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.545 -1.661 . . . . 15.0 106.671 159.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -59.98 123.62 73.08 Favored Pre-proline 0 N--CA 1.466 0.358 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -54.83 123.33 13.48 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.666 2.244 . . . . 15.0 110.867 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.44 -6.63 44.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.434 -0.348 . . . . 15.0 111.869 -173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.84 -16.76 52.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.282 0.563 . . . . 15.0 109.994 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.34 -9.8 19.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 mptt . . . . . 0 C--O 1.246 0.903 0 CA-C-N 115.046 -0.979 . . . . 15.0 111.54 177.318 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.068 0.461 . . . . 15.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.69 -15.37 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.605 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.473 ' CZ3' ' ND2' ' A' ' 449' ' ' ASN . 57.7 m95 -117.43 100.08 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.664 -0.698 . . . . 15.0 109.371 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 98.0 m -90.51 100.74 13.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.443 -0.344 . . . . 15.0 110.88 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -90.04 94.06 9.64 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.583 -0.895 . . . . 15.0 108.583 169.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.46 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 35.7 ttt180 -105.0 118.13 35.76 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.92 108.51 19.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.555 -0.748 . . . . 15.0 109.96 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.594 ' OG1' ' HG3' ' A' ' 444' ' ' LYS . 35.2 p -89.71 149.96 22.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.88 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.33 40.23 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.396 0.888 . . . . 15.0 113.396 -168.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.06 -11.97 45.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.48 0.657 . . . . 15.0 110.734 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 26.22 24.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.974 -0.632 . . . . 15.0 111.547 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.702 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.6 ptpp? -120.95 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.358 0.599 . . . . 15.0 110.663 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 113.58 25.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.362 -0.836 . . . . 15.0 110.171 174.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 29.7 p90 -105.52 139.09 40.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 119.727 -0.789 . . . . 15.0 110.551 176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 436' ' ' THR . 41.2 m-85 -105.4 103.54 13.09 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.029 -0.987 . . . . 15.0 109.578 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -88.75 118.15 28.24 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 122.071 0.939 . . . . 15.0 109.59 169.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.02 HD21 ' HB2' ' A' ' 451' ' ' ARG . 4.3 t-20 -92.88 131.47 37.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.951 -1.477 . . . . 15.0 111.314 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.96 -2.26 27.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.651 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.02 ' HB2' HD21 ' A' ' 449' ' ' ASN . 18.1 mmt180 -66.13 -52.28 50.0 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.866 0.365 . . . . 15.0 111.176 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.521 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.8 OUTLIER -120.11 0.05 10.63 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.167 -0.47 . . . . 15.0 110.63 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.1 mm? 67.11 74.99 0.32 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.765 0.793 . . . . 15.0 109.579 -168.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.521 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.7 mt-10 -132.62 125.49 30.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.885 -1.052 . . . . 15.0 110.183 -174.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 t -89.86 112.75 24.19 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.095 -1.076 . . . . 15.0 108.095 173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.3 t -129.38 125.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.92 0.867 . . . . 15.0 109.939 -173.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.702 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 28.1 m95 -114.88 20.14 15.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.353 1.073 . . . . 15.0 109.522 -168.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -115.03 146.15 41.55 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 113.531 -1.668 . . . . 15.0 107.919 167.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -69.72 120.92 80.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.842 0.354 . . . . 15.0 111.446 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.402 ' HB3' ' OE2' ' A' ' 462' ' ' GLU . 76.0 Cg_exo -45.43 133.19 12.57 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.154 3.236 . . . . 15.0 113.694 -177.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -10.78 19.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.631 -0.713 . . . . 15.0 111.791 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -90.42 -11.95 38.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.058 0.456 . . . . 15.0 110.428 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.0 tp -93.75 1.29 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.742 -0.663 . . . . 15.0 109.864 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.251 -0.881 . . . . 15.0 110.057 178.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.117 -0.327 . . . . 15.0 110.117 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.76 83.91 7.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.312 -0.404 . . . . 15.0 111.4 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -144.38 118.86 9.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.856 -0.794 . . . . 15.0 108.856 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.732 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 53.3 m -89.91 100.64 13.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 15.0 111.481 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.74 93.51 9.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.073 -0.967 . . . . 15.0 108.496 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.468 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -110.78 113.03 25.3 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 10.4 ptmm? -91.97 108.04 19.64 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.548 -0.751 . . . . 15.0 111.407 -175.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.3 p -89.69 144.3 26.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.894 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.39 9.68 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.227 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.39 0.4 25.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 15.0 109.626 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 26.35 24.08 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.885 178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.632 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.4 ptpp? -150.07 133.98 16.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.003 0.43 . . . . 15.0 111.056 -175.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.5 m -105.39 117.74 34.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 15.0 109.678 176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.612 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 16.6 p90 -105.31 126.71 52.41 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 119.977 -0.689 . . . . 15.0 110.855 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.732 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -98.56 89.75 4.51 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.001 -1.0 . . . . 15.0 108.744 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.54 ' O ' ' HB ' ' A' ' 436' ' ' THR . 8.3 t80 -89.09 123.03 33.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.768 0.794 . . . . 15.0 109.811 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.792 HD21 ' HB2' ' A' ' 451' ' ' ARG . 2.4 t-20 -119.88 139.82 51.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.546 -1.206 . . . . 15.0 112.101 -172.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.431 ' HA ' HD22 ' A' ' 453' ' ' LEU . 3.8 t30 -91.72 -12.75 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.062 -178.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.792 ' HB2' HD21 ' A' ' 449' ' ' ASN . 14.5 mmt180 -60.03 -48.04 83.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.677 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 454' ' ' GLU . 5.3 t -120.27 0.1 10.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.746 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 450' ' ' ASN . 2.9 mm? 65.36 35.53 7.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.149 0.499 . . . . 15.0 111.062 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.424 ' HB2' HG23 ' A' ' 452' ' ' THR . 12.8 mt-10 -102.69 134.1 46.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.069 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.824 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 2.7 p -93.35 102.27 14.52 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 115.26 -0.882 . . . . 15.0 108.781 168.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 29.4 p -99.53 121.74 41.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.844 -177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.824 ' HE1' ' HB2' ' A' ' 455' ' ' SER . 43.1 m95 -108.08 -0.32 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.856 0.836 . . . . 15.0 109.53 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.98 136.66 49.65 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.012 -1.477 . . . . 15.0 107.012 163.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -59.93 123.15 70.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.252 0.345 . . . . 15.0 111.473 -172.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 93.5 Cg_exo -45.5 137.0 11.73 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.721 2.948 . . . . 15.0 112.961 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.42 -12.98 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.041 0.448 . . . . 15.0 110.422 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 0.7 OUTLIER -87.65 -2.57 58.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 15.0 110.627 178.057 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.54 -16.81 13.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.662 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.285 -0.864 . . . . 15.0 110.406 -175.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.2 OUTLIER -88.0 -32.44 18.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.714 0.292 . . . . 15.0 110.705 -178.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 57.8 m95 -124.84 99.9 6.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 175.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.695 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.9 m -89.93 105.34 17.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.622 -0.263 . . . . 15.0 111.302 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.653 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 3.9 pt-20 -89.86 90.04 8.01 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.581 0.705 . . . . 15.0 109.864 171.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.409 ' HB3' ' CE1' ' A' ' 446' ' ' TYR . 51.6 ttt180 -93.91 108.17 19.99 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.565 -0.902 . . . . 15.0 108.565 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 445' ' ' THR . 7.9 ptpp? -89.92 104.1 16.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.86 0.838 . . . . 15.0 110.608 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 150.24 22.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.537 -1.211 . . . . 15.0 110.326 177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -73.08 12.1 0.6 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.421 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.0 -4.71 51.38 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.81 9.49 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.985 -1.007 . . . . 15.0 111.943 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -144.11 120.81 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 15.0 111.859 -175.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.4 p -89.84 93.5 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.485 169.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.602 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 19.6 p90 -96.27 133.16 40.96 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.762 -0.775 . . . . 15.0 111.138 -176.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.695 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-85 -102.81 95.96 6.53 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.787 -1.097 . . . . 15.0 109.628 174.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -89.06 127.72 35.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.771 0.796 . . . . 15.0 109.308 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.6 HD21 ' HG2' ' A' ' 451' ' ' ARG . 2.4 t-20 -121.9 140.59 52.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.225 -1.352 . . . . 15.0 111.794 -170.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -93.6 -8.53 40.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 15.0 110.724 -177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 449' ' ' ASN . 20.1 mmm180 -60.94 -50.54 72.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.895 0.379 . . . . 15.0 110.687 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 2.7 p -120.06 0.06 10.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.151 -0.477 . . . . 15.0 112.03 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 452' ' ' THR . 3.4 mm? 65.95 34.06 7.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.48 0.657 . . . . 15.0 109.738 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.26 135.42 47.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.699 -1.137 . . . . 15.0 110.921 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.531 ' HB2' ' HE1' ' A' ' 457' ' ' TRP . 50.5 p -99.26 110.7 23.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.406 -0.59 . . . . 15.0 109.406 172.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 37.0 p -99.81 112.82 25.05 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.687 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.602 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 41.8 m95 -98.29 6.15 47.65 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.572 1.177 . . . . 15.0 108.508 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.5 132.58 55.63 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 112.988 -1.914 . . . . 15.0 106.996 161.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -63.77 116.72 28.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 111.858 0.318 . . . . 15.0 111.858 -172.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.67 125.85 18.95 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.873 2.382 . . . . 15.0 112.41 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 4.7 pm0 -73.66 -16.83 61.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.5 -0.773 . . . . 15.0 112.06 -175.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -83.61 4.08 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.803 -0.359 . . . . 15.0 111.236 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 463' ' ' LEU . 2.8 tt -77.71 -18.89 56.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.631 -0.878 . . . . 15.0 108.631 173.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.1 mmmp? . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.775 -1.102 . . . . 15.0 111.72 178.653 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.959 0.409 . . . . 15.0 110.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.628 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 5.8 pt-20 -77.9 -7.43 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.076 -0.511 . . . . 15.0 112.139 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.81 ' HB2' HD22 ' A' ' 463' ' ' LEU . 45.4 m95 -122.03 117.65 26.85 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.848 -0.427 . . . . 15.0 109.848 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 63.1 m -92.0 103.97 16.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.647 -0.251 . . . . 15.0 110.483 176.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -91.78 89.93 7.28 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.785 0.802 . . . . 15.0 109.035 174.342 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -102.41 120.87 41.24 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.154 -0.618 . . . . 15.0 110.399 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.06 108.27 19.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.353 -0.84 . . . . 15.0 108.755 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.0 p -89.63 150.0 22.57 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.844 -0.617 . . . . 15.0 110.638 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.58 40.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.791 -0.64 . . . . 15.0 112.082 -173.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.87 -7.68 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.504 0.668 . . . . 15.0 109.639 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.13 32.94 9.21 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.592 -0.731 . . . . 15.0 112.092 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -122.03 115.06 21.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.327 -0.249 . . . . 15.0 110.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 95.58 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.884 -0.784 . . . . 15.0 108.884 170.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.7 p90 -101.03 135.46 42.45 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.815 -0.754 . . . . 15.0 110.548 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.704 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.2 m-85 -101.01 99.49 9.95 Favored 'General case' 0 N--CA 1.432 -1.351 0 CA-C-N 114.711 -1.131 . . . . 15.0 109.288 175.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -89.09 118.64 28.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.669 0.747 . . . . 15.0 109.848 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.893 HD21 ' HB2' ' A' ' 451' ' ' ARG . 2.9 t-20 -90.05 137.41 32.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.328 -1.305 . . . . 15.0 112.304 -173.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.94 -0.09 27.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.813 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.893 ' HB2' HD21 ' A' ' 449' ' ' ASN . 4.7 mtm-85 -68.83 -61.36 1.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.416 0.627 . . . . 15.0 110.783 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 0.2 OUTLIER -119.82 0.15 10.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.364 -0.834 . . . . 15.0 110.958 -173.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 452' ' ' THR . 1.9 mm? 71.2 74.95 0.18 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.51 -172.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 449' ' ' ASN . 38.0 mt-10 -133.9 128.3 34.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 15.0 110.088 -174.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.1 t -93.49 110.42 22.0 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.016 -0.735 . . . . 15.0 109.016 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.0 p -116.49 113.56 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.316 0.579 . . . . 15.0 110.421 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 27.4 m95 -107.06 8.85 30.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.364 1.078 . . . . 15.0 109.36 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.94 150.12 25.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.109 -1.86 . . . . 15.0 107.836 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -71.35 115.2 34.56 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.723 -0.391 . . . . 15.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.13 130.55 24.48 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.503 2.136 . . . . 15.0 111.698 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.17 -9.42 46.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.512 0.672 . . . . 15.0 110.051 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.77 -24.67 41.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.28 -0.873 . . . . 15.0 111.171 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.81 HD22 ' HB2' ' A' ' 435' ' ' TRP . 26.9 tp -120.09 -0.65 10.49 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.934 -0.307 . . . . 15.0 111.169 -178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp . . . . . 0 C--O 1.251 1.155 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.819 179.277 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 109.44 -0.578 . . . . 15.0 109.44 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.559 ' HB3' ' HG3' ' A' ' 451' ' ' ARG . 9.3 mm-40 -95.66 -4.69 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.835 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 451' ' ' ARG . 54.8 m95 -117.85 110.87 18.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.015 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.692 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 82.7 m -89.94 96.68 10.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.431 -0.349 . . . . 15.0 110.341 178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -90.39 91.55 8.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.506 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 43.1 ttt180 -122.29 116.38 23.99 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 -177.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.21 120.22 39.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.909 0.861 . . . . 15.0 110.568 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 76.3 p -89.61 139.27 30.71 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.224 -0.898 . . . . 15.0 109.899 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.47 2.65 2.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.142 0.496 . . . . 15.0 111.301 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.54 -7.61 45.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.495 0.664 . . . . 15.0 110.023 171.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 29.87 13.4 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.479 -0.782 . . . . 15.0 112.5 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.768 ' HD3' ' HZ3' ' A' ' 457' ' ' TRP . 4.5 ptpp? -144.19 127.45 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 15.0 111.001 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.2 m -96.39 128.83 43.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.796 -0.638 . . . . 15.0 109.826 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 20.7 p90 -119.54 136.87 54.16 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 119.894 -0.722 . . . . 15.0 111.048 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.692 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -107.1 98.66 8.28 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 114.892 -1.049 . . . . 15.0 109.341 173.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -89.23 118.26 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.132 0.967 . . . . 15.0 109.994 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 1.021 HD21 ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -96.7 133.85 40.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.044 -1.435 . . . . 15.0 112.157 -172.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -97.95 -3.76 37.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.812 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.021 ' HB2' HD21 ' A' ' 449' ' ' ASN . 31.7 mtp180 -70.86 -50.24 37.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.745 0.307 . . . . 15.0 111.511 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 1.041 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 1.5 m -120.19 0.0 10.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.524 -0.307 . . . . 15.0 110.846 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.5 mm? 73.36 35.99 0.85 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.53 0.681 . . . . 15.0 109.522 -172.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 1.041 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 42.0 mt-10 -93.39 124.59 37.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.947 . . . . 15.0 110.84 -173.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.0 t -90.63 114.52 26.81 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.194 -1.039 . . . . 15.0 108.194 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.9 t -127.69 125.0 39.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.59 0.71 . . . . 15.0 109.847 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.768 ' HZ3' ' HD3' ' A' ' 444' ' ' LYS . 24.3 m95 -109.63 11.32 24.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.329 1.062 . . . . 15.0 109.207 -171.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -111.68 135.4 52.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 113.159 -1.837 . . . . 15.0 107.507 164.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -61.13 121.55 63.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 111.888 0.329 . . . . 15.0 111.888 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.17 124.96 11.09 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.636 2.89 . . . . 15.0 112.863 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER -72.79 -21.17 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.381 -0.827 . . . . 15.0 112.124 -172.373 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -89.09 -9.9 49.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.485 -0.486 . . . . 15.0 111.042 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 42.6 tp -89.03 -14.96 35.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.328 0.585 . . . . 15.0 110.121 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.082 -0.961 . . . . 15.0 110.256 179.297 . . . . . . . . 0 0 . 1 stop_ save_