data_2n4t_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 2n4t _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 ' 434' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.1 pm0 . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.148 0.499 . . . . 15.0 109.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.485 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 76.3 m95 -104.87 116.68 32.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.051 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.2 m -109.71 141.07 42.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.088 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.93 135.52 33.68 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.817 0.818 . . . . 15.0 110.935 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -129.3 124.16 33.65 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.927 -1.488 . . . . 15.0 109.239 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -106.76 142.22 36.74 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.712 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.5 p -89.9 150.57 22.13 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.342 -0.984 . . . . 15.0 108.342 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.69 2.04 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.829 0.677 . . . . 15.0 112.829 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.505 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.7 p-10 -81.35 -5.17 57.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.873 0.368 . . . . 15.0 111.417 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.4 44.81 5.17 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 116.049 -0.523 . . . . 15.0 113.678 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.505 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 49.1 mmtm -106.6 127.31 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.164 -0.68 . . . . 15.0 109.164 170.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 22.3 p -102.83 110.01 21.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.583 -0.28 . . . . 15.0 111.672 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.425 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.1 p90 -107.88 136.06 48.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 173.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -96.57 122.46 39.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.154 0.502 . . . . 15.0 110.891 -174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -96.57 122.42 39.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.489 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.5 t-20 -101.98 125.21 48.61 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.459 -0.792 . . . . 15.0 110.45 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.96 -1.24 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.965 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 19.5 mtm180 -83.7 -42.72 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.478 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.3 p -120.04 4.9 10.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.927 0.344 . . . . 15.0 111.927 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.6 m0 65.0 29.88 12.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.458 . . . . 15.0 110.495 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -89.57 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.824 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.6 m -124.57 98.75 5.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -124.04 150.2 45.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.864 0.364 . . . . 15.0 111.026 -173.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 69.8 m95 -81.12 -3.19 51.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.197 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -77.31 145.83 37.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.114 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -89.81 118.61 69.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.81 150.08 79.55 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.653 2.902 . . . . 15.0 113.155 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.98 -22.35 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.678 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 2.0 pm0 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.009 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.057 0.456 . . . . 15.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.615 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 86.1 m95 -89.77 118.49 29.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 15.0 110.645 -175.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 5.4 m -105.69 144.36 32.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.86 -0.609 . . . . 15.0 110.136 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -101.21 136.52 40.93 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.44 0.638 . . . . 15.0 110.679 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.6 m-85 -137.61 129.58 28.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.836 -1.074 . . . . 15.0 110.066 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -103.47 138.92 39.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 15.0 110.337 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.1 p -89.48 150.73 22.34 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.017 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.58 -30.03 1.37 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.447 0.906 . . . . 15.0 113.447 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -85.74 2.18 46.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.22 0.533 . . . . 15.0 110.94 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 77.97 62.17 2.4 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.564 -0.744 . . . . 15.0 113.403 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.5 mmtm -126.73 122.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 170.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 6.4 p -98.24 116.25 30.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 15.0 111.281 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -113.19 136.97 52.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.648 176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 455' ' ' SER . 71.0 m-85 -96.89 127.21 42.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 15.0 109.929 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 83.6 t80 -107.89 124.76 50.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 15.0 111.208 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 26.3 t-20 -105.16 135.06 47.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 15.0 110.325 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -93.44 -5.11 50.05 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.353 0.408 . . . . 15.0 111.58 -173.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -78.98 -51.17 9.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.324 0.583 . . . . 15.0 109.947 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.9 p -110.49 0.37 17.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.584 -0.734 . . . . 15.0 112.02 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 50.0 m0 64.35 30.02 13.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.492 0.663 . . . . 15.0 110.048 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.23 131.63 35.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.518 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 9.8 m -121.8 102.1 7.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.936 -0.574 . . . . 15.0 109.481 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -118.06 150.16 39.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.027 0.441 . . . . 15.0 110.975 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 57.7 m95 -87.23 -6.86 58.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.701 -0.681 . . . . 15.0 109.728 177.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.08 165.02 13.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.514 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 52.7 mtpt -89.78 123.32 66.66 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.095 0.474 . . . . 15.0 111.626 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 18.7 Cg_endo -60.16 150.17 80.87 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.676 2.918 . . . . 15.0 112.474 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.9 -19.38 65.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.418 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.419 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.6 pm0 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 4.4 tp10 . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 109.338 -0.615 . . . . 15.0 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.686 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 92.7 m95 -107.32 115.04 29.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.286 -0.87 . . . . 15.0 109.799 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -105.41 142.54 34.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.693 -0.484 . . . . 15.0 109.693 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.481 ' OE2' HG23 ' A' ' 445' ' ' THR . 11.6 tm-20 -89.85 133.37 34.77 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.165 0.983 . . . . 15.0 109.756 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.7 125.78 36.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.701 -1.591 . . . . 15.0 109.128 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -103.58 144.23 31.7 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.965 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.8 p -89.67 150.92 22.13 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.769 -1.105 . . . . 15.0 109.022 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.98 -29.71 0.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.517 0.562 . . . . 15.0 112.517 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -9.42 59.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.08 0.4 . . . . 15.0 112.08 178.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 35.55 7.61 Favored Glycine 0 CA--C 1.516 0.143 0 CA-C-N 116.268 -0.424 . . . . 15.0 113.978 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -102.19 131.3 48.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.481 HG23 ' OE2' ' A' ' 437' ' ' GLU . 18.8 p -91.97 111.5 23.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.73 -177.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.2 p90 -115.3 122.78 46.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.552 0.691 . . . . 15.0 109.723 174.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.594 ' O ' ' HA ' ' A' ' 455' ' ' SER . 2.3 m-85 -90.06 118.76 29.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.14 -174.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -101.94 123.39 45.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.407 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 22.6 t-20 -106.04 130.49 53.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.016 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -84.29 1.45 44.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.709 0.633 . . . . 15.0 112.709 -172.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -81.28 -58.36 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.588 -0.523 . . . . 15.0 109.588 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 18.5 p -101.84 3.03 38.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.146 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 59.79 29.58 19.15 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.53 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -96.33 139.59 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.641 -0.709 . . . . 15.0 110.967 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.594 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.6 m -112.23 105.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.847 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -101.9 142.67 32.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.043 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -92.28 19.46 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 15.0 111.048 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.429 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 9.0 tp10 -149.61 163.53 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 34.1 mtmm -90.01 115.65 64.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.307 0.575 . . . . 15.0 112.396 -171.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.502 ' HG2' ' CE2' ' A' ' 435' ' ' TRP . 24.4 Cg_exo -66.27 150.53 84.69 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.766 3.644 . . . . 15.0 112.138 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -51.1 -21.17 1.76 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.444 0.905 . . . . 15.0 113.444 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.686 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 121.288 0.566 . . . . 15.0 111.13 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.844 ' HG3' HH11 ' A' ' 451' ' ' ARG . 9.6 mm-40 . . . . . 0 C--O 1.236 0.375 0 CA-C-O 121.469 0.652 . . . . 15.0 109.473 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.553 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 77.5 m95 -95.92 116.49 29.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.698 -1.137 . . . . 15.0 110.114 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.0 m -104.08 145.45 30.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.184 -0.462 . . . . 15.0 109.893 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -99.0 135.27 40.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.748 0.785 . . . . 15.0 110.574 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -130.81 127.36 38.49 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.202 -1.363 . . . . 15.0 109.895 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -103.08 145.92 29.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.141 -0.481 . . . . 15.0 109.923 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.6 p -89.63 150.66 22.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.2 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.69 -30.32 0.91 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.704 0.631 . . . . 15.0 112.704 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.53 -7.79 59.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.833 0.349 . . . . 15.0 111.73 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.48 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.21 45.32 4.45 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 116.373 -0.376 . . . . 15.0 113.929 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 443' ' ' GLY . 0.7 OUTLIER -115.67 131.66 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.8 p -101.03 127.05 47.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.893 0.331 . . . . 15.0 111.893 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.413 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 46.9 p90 -120.9 140.32 51.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.68 127.91 42.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.112 0.482 . . . . 15.0 110.779 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -113.14 118.86 35.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.387 -0.824 . . . . 15.0 110.69 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 6.7 t-20 -90.04 117.9 29.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.854 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -73.53 -6.96 49.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.619 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.844 HH11 ' HG3' ' A' ' 434' ' ' GLU . 29.1 mtm-85 -83.87 -35.85 23.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.932 0.396 . . . . 15.0 110.942 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -120.1 -4.87 10.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.796 -174.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 15.3 m0 63.3 29.65 15.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.413 0.625 . . . . 15.0 109.821 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.95 138.54 31.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 15.0 110.318 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -127.23 119.4 26.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.0 t -136.63 150.12 48.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.922 0.392 . . . . 15.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 61.8 m95 -84.98 -0.32 53.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.264 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.74 158.55 15.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.848 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -89.79 123.62 65.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 15.0 110.966 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.11 145.81 89.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.501 2.8 . . . . 15.0 112.674 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.72 -17.68 63.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 15.0 112.536 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.52 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.8 pt-20 . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 121.325 0.583 . . . . 15.0 110.191 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 13.3 mt-10 . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 108.672 -0.862 . . . . 15.0 108.672 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.672 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 -94.95 105.17 17.07 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.302 -1.317 . . . . 15.0 108.318 169.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.427 ' HB ' ' CE2' ' A' ' 438' ' ' TYR . 1.8 m -90.1 137.92 31.95 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.99 129.17 36.35 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.804 0.811 . . . . 15.0 110.171 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 81.7 m-85 -129.95 123.45 30.71 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.146 -1.388 . . . . 15.0 110.243 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -101.72 141.64 34.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.161 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.3 p -89.47 150.45 22.48 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.33 -0.989 . . . . 15.0 108.33 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.03 -38.2 1.57 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.325 0.861 . . . . 15.0 113.325 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -79.02 -5.64 54.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.163 0.506 . . . . 15.0 111.506 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.08 58.57 1.67 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.893 -0.594 . . . . 15.0 113.659 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -123.3 117.35 25.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 170.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.0 p -95.98 118.38 32.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.681 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -115.17 144.5 43.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.39 -0.596 . . . . 15.0 109.39 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -101.12 123.4 45.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 15.0 109.92 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.4 t80 -115.34 117.14 29.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.131 -173.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.672 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 5.9 t-20 -89.9 120.61 31.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -74.75 -9.13 58.26 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.703 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.58 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 44.0 mtm-85 -80.21 -34.49 37.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 15.0 110.9 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.7 p -119.91 -7.71 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.422 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m0 62.82 29.85 16.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.608 0.718 . . . . 15.0 109.605 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 5.1 tp10 -89.88 139.99 30.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.691 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 m -121.91 125.14 45.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.849 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.6 t -142.65 150.1 39.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.69 0.281 . . . . 15.0 110.577 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -85.79 -7.01 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 15.0 110.509 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.88 160.71 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.236 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -89.66 125.28 61.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.314 0.578 . . . . 15.0 110.85 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.424 ' HG3' ' CB ' ' A' ' 435' ' ' TRP . 30.2 Cg_endo -63.1 150.14 89.47 Favored 'Trans proline' 0 C--N 1.335 -0.132 0 C-N-CA 123.83 3.02 . . . . 15.0 112.916 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -49.89 -28.4 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.166 -0.924 . . . . 15.0 112.45 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.486 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.4 pt-20 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 111.96 0.356 . . . . 15.0 111.96 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.459 ' OE1' ' HG3' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 107.445 -1.317 . . . . 15.0 107.445 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.49 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -96.5 145.98 25.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.888 -1.505 . . . . 15.0 109.364 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.1 m -143.83 141.65 30.46 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.743 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -106.36 139.6 40.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.431 0.634 . . . . 15.0 110.375 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -126.28 127.14 45.14 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.914 -1.039 . . . . 15.0 109.441 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -89.99 138.16 31.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.484 0.659 . . . . 15.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.4 p -89.43 150.84 22.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.771 -1.104 . . . . 15.0 108.717 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.13 -29.9 0.13 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.615 0.969 . . . . 15.0 113.615 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.507 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 6.5 p-10 -90.52 0.32 57.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 15.0 111.363 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 86.83 38.39 8.06 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.005 -0.543 . . . . 15.0 114.18 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.507 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 1.1 mmpp? -104.49 120.07 40.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 15.0 109.415 172.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.1 p -98.54 104.31 16.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.74 0.305 . . . . 15.0 111.376 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -94.94 138.44 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.743 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 58.5 m-85 -97.59 117.44 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.499 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 70.3 t80 -105.66 131.86 52.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.371 -173.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.49 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 18.4 t-20 -116.86 134.5 54.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.978 174.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -88.75 -15.45 34.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 15.0 111.552 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.459 ' HG3' ' OE1' ' A' ' 434' ' ' GLU . 19.6 mtm180 -69.42 -45.12 69.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 15.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.8 t -120.1 6.09 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 15.0 111.417 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m95 63.25 30.31 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.11 0.481 . . . . 15.0 111.007 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.545 ' HB2' HG23 ' A' ' 452' ' ' THR . 8.7 tp10 -89.42 129.94 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.911 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.97 99.97 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.015 -0.735 . . . . 15.0 109.015 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.0 t -120.26 150.33 40.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 15.0 110.856 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -88.1 0.63 55.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.469 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 10.1 tp10 -95.57 134.15 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.613 177.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 63.0 tttp -92.09 109.55 38.25 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 15.0 110.659 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.4 Cg_exo -65.13 150.17 88.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.579 2.852 . . . . 15.0 112.689 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -68.07 -14.47 63.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.47 0.653 . . . . 15.0 110.118 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.033 177.286 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.677 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 120.996 0.427 . . . . 15.0 110.698 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.677 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 85.9 m95 -104.63 116.71 32.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.367 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.2 m -102.53 145.27 29.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.903 -0.589 . . . . 15.0 109.938 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.97 135.77 39.9 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.02 0.914 . . . . 15.0 110.874 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -132.85 126.19 31.68 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 113.66 -1.609 . . . . 15.0 108.393 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.87 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 3.1 ttmp? -113.59 146.4 39.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.408 0.623 . . . . 15.0 110.998 -173.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.5 p -89.76 150.65 22.19 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.089 -0.959 . . . . 15.0 108.935 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.48 -32.84 0.97 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.243 0.831 . . . . 15.0 113.243 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.26 -3.03 57.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.137 0.494 . . . . 15.0 111.255 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.01 42.88 5.83 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.628 -0.715 . . . . 15.0 113.828 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.846 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 7.8 mmpt? -107.06 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.476 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 47.2 p -99.16 113.33 25.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.334 -0.394 . . . . 15.0 111.777 -175.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.9 p90 -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 171.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -90.01 126.87 35.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.314 -174.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -109.77 118.01 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.634 -0.712 . . . . 15.0 110.923 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.443 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.4 t-20 -91.33 121.82 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.977 -0.556 . . . . 15.0 109.886 177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -80.6 -6.01 57.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.955 0.354 . . . . 15.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.638 ' CZ ' ' HG3' ' A' ' 434' ' ' GLU . 24.5 mtm180 -75.49 -46.85 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.637 -0.425 . . . . 15.0 110.812 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.2 t -120.22 10.57 11.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.33 29.97 19.44 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.9 0.381 . . . . 15.0 111.682 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.16 135.12 33.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.323 0.582 . . . . 15.0 111.33 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -110.83 108.23 17.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.663 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.541 -0.3 . . . . 15.0 110.96 -173.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.453 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -90.98 -17.18 26.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.36 169.23 18.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 63.6 tttt -108.46 107.84 60.48 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.333 -0.547 . . . . 15.0 110.643 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 14.1 Cg_endo -56.25 145.1 79.03 Favored 'Trans proline' 0 N--CA 1.473 0.322 0 C-N-CA 123.957 3.104 . . . . 15.0 112.488 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.12 -28.59 69.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.053 0.39 . . . . 15.0 112.053 -176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.541 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.8 pm0 . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.658 0.266 . . . . 15.0 111.648 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.612 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.258 0.551 . . . . 15.0 109.599 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 87.4 m95 -108.85 106.51 16.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.1 -0.954 . . . . 15.0 109.653 174.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.4 m -90.15 140.6 29.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.489 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -102.56 133.95 46.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 15.0 111.393 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -136.85 125.15 23.23 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.503 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -101.96 142.05 33.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 15.0 110.275 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 60.3 p -89.73 150.63 22.22 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.03 -31.68 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.341 0.867 . . . . 15.0 113.341 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 9.6 p-10 -84.29 -0.47 52.53 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.275 0.56 . . . . 15.0 111.299 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 39.36 6.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.737 -0.665 . . . . 15.0 113.943 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 47.8 mmtm -106.57 120.76 42.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 p -98.45 107.04 19.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.577 0.227 . . . . 15.0 111.239 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.476 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.6 p90 -100.47 135.82 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.367 -0.605 . . . . 15.0 109.367 175.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -94.94 126.07 40.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.156 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 89.4 t80 -106.61 117.07 33.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.43 -176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB2' ' CZ2' ' A' ' 435' ' ' TRP . 4.7 t-20 -89.84 116.31 27.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -70.71 -8.08 49.44 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.706 0.629 . . . . 15.0 111.188 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.612 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 24.0 mtm180 -83.98 -35.71 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.17 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.7 p -120.08 -6.48 9.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.499 -0.319 . . . . 15.0 111.564 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 38.2 m0 65.1 29.84 11.85 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.827 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 9.6 tp10 -90.67 143.73 26.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.534 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.0 m -126.3 106.21 9.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 15.0 110.213 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.433 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 13.4 t -125.09 150.24 47.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.976 0.417 . . . . 15.0 110.884 -177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.476 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 38.9 m95 -90.44 -1.14 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.129 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.433 ' HG2' ' OG1' ' A' ' 456' ' ' THR . 11.3 pt-20 -97.56 168.34 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.235 -0.283 . . . . 15.0 110.235 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 35.9 ttmt -90.1 122.79 67.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 15.0 111.417 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.7 Cg_endo -63.49 149.93 89.81 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.421 2.747 . . . . 15.0 112.526 172.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.34 -27.83 68.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.608 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.754 179.163 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.897 ' HG3' HH11 ' A' ' 451' ' ' ARG . 5.4 mm-40 . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.31 0.576 . . . . 15.0 109.74 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.638 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 71.3 m95 -95.82 116.71 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.915 -1.039 . . . . 15.0 109.756 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -103.02 145.53 29.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.574 -0.528 . . . . 15.0 109.574 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 438' ' ' TYR . 3.5 tt0 -89.99 142.23 27.9 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.878 0.847 . . . . 15.0 111.162 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.488 ' N ' ' HG2' ' A' ' 437' ' ' GLU . 80.8 m-85 -134.77 124.91 25.92 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.784 -1.553 . . . . 15.0 108.524 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.613 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 3.5 ttmp? -114.68 139.2 49.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.101 0.477 . . . . 15.0 110.467 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.9 p -89.58 150.95 22.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.283 -0.872 . . . . 15.0 109.505 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -37.95 -40.48 0.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.229 1.196 . . . . 15.0 114.229 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.61 4.44 28.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.354 0.597 . . . . 15.0 111.464 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.69 49.31 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.316 -0.856 . . . . 15.0 113.89 172.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -112.98 127.55 56.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.2 p -100.83 117.66 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.979 0.419 . . . . 15.0 111.694 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 43.8 p90 -110.62 127.59 55.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.737 -0.838 . . . . 15.0 108.737 172.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -98.08 126.85 43.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.813 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -107.76 118.19 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.18 -0.918 . . . . 15.0 111.315 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.638 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.1 t-20 -90.08 124.84 35.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.395 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -79.7 -3.36 47.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.568 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.897 HH11 ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -87.26 -50.24 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.137 0.494 . . . . 15.0 110.52 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 40.9 p -106.63 1.87 25.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.073 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.8 m0 61.84 28.15 17.21 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.616 -0.72 . . . . 15.0 110.611 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.43 126.49 36.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 15.0 111.051 -172.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.5 m -107.09 112.02 24.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.251 -0.431 . . . . 15.0 109.846 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -120.68 150.1 41.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 110.804 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.8 m95 -86.58 0.15 54.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.194 0.521 . . . . 15.0 110.35 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -90.69 155.6 18.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.153 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -89.92 114.07 59.42 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.425 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.96 146.38 80.22 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.888 3.058 . . . . 15.0 114.1 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -69.36 -19.71 63.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.119 -0.946 . . . . 15.0 112.135 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.495 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.288 0.566 . . . . 15.0 110.177 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.701 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 8.1 pt-20 . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 120.446 0.165 . . . . 15.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.586 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 97.4 m95 -128.37 107.75 10.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.019 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 142.56 33.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.024 -0.534 . . . . 15.0 109.995 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.11 136.96 38.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.394 0.616 . . . . 15.0 111.013 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.67 124.17 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.629 -1.169 . . . . 15.0 110.005 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.83 140.21 30.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.174 0.511 . . . . 15.0 110.637 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.3 p -89.65 151.0 22.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.012 . . . . 15.0 108.854 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -40.47 -35.03 0.4 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.22 -5.43 59.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.173 0.511 . . . . 15.0 111.247 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 45.43 4.5 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.698 -0.683 . . . . 15.0 113.551 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -109.75 119.45 39.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 p -92.7 105.09 17.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.702 0.287 . . . . 15.0 111.124 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -93.89 131.72 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.564 -0.532 . . . . 15.0 109.564 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -95.13 120.49 35.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.987 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -107.68 121.63 45.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.859 -171.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.6 t-20 -92.15 118.3 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -81.66 0.46 38.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.646 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 451' ' ' ARG . 24.5 mtm180 -87.76 -46.67 9.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.88 0.372 . . . . 15.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.0 p -108.92 -4.31 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.317 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 67.16 30.41 7.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.468 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.32 134.58 34.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.403 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 p -118.82 110.61 17.41 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.624 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -113.99 150.12 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 15.0 110.886 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -95.61 -5.71 41.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.194 0.521 . . . . 15.0 110.271 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.24 152.42 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.706 -0.85 . . . . 15.0 108.706 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -89.42 112.54 52.12 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -51.92 150.08 18.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.987 3.125 . . . . 15.0 113.311 -174.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -66.24 -22.6 66.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.799 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.586 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.675 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 121.198 0.523 . . . . 15.0 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 67.2 m95 -113.15 112.47 23.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.174 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -92.03 140.17 29.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.234 -0.654 . . . . 15.0 109.234 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -93.18 133.86 35.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.791 0.805 . . . . 15.0 111.128 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.61 124.39 23.93 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.945 -1.48 . . . . 15.0 108.773 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 26.7 ttmt -99.09 143.19 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.391 0.615 . . . . 15.0 111.069 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.0 p -89.64 150.78 22.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.105 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.84 -34.53 1.63 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.175 0.806 . . . . 15.0 113.175 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -78.77 -4.43 49.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.041 0.448 . . . . 15.0 111.397 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.96 37.48 7.24 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.945 -0.57 . . . . 15.0 113.283 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.854 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -109.59 125.22 52.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 173.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 36.2 p -92.34 107.47 19.24 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.234 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -93.34 126.62 38.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.408 ' HD2' ' O ' ' A' ' 458' ' ' GLU . 27.3 m-85 -90.42 123.92 34.53 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.217 0.532 . . . . 15.0 110.324 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.23 115.47 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.507 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.604 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.8 t-20 -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.362 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -78.53 -3.51 44.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.416 -0.811 . . . . 15.0 112.06 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 22.0 mtm180 -81.0 -63.31 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 15.0 110.081 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 29.3 p -104.66 7.63 34.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.242 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 13.2 m0 63.05 30.49 16.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.658 0.742 . . . . 15.0 110.472 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -89.85 127.71 36.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.893 -1.049 . . . . 15.0 110.519 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.29 117.52 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.795 0.331 . . . . 15.0 110.747 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.2 t -138.58 150.37 46.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.142 0.496 . . . . 15.0 110.842 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -80.3 -4.33 52.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.696 -0.684 . . . . 15.0 110.249 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.408 ' O ' ' HD2' ' A' ' 447' ' ' TYR . 33.5 mt-10 -79.93 151.5 30.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -91.82 112.8 56.45 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.726 0.298 . . . . 15.0 110.405 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -67.18 150.05 81.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.133 2.555 . . . . 15.0 112.466 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.12 -28.81 69.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 15.0 111.249 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.477 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 2.4 pm0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.562 ' HG3' ' HD3' ' A' ' 451' ' ' ARG . 9.5 mm-40 . . . . . 0 CA--C 1.513 -0.456 0 CA-C-O 121.407 0.622 . . . . 15.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.627 ' CD2' ' HG3' ' A' ' 460' ' ' PRO . 68.1 m95 -101.89 129.38 48.12 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.6 -176.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -129.39 142.37 50.82 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.194 -0.669 . . . . 15.0 109.194 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.714 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -106.49 137.87 43.69 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.588 0.708 . . . . 15.0 110.408 177.588 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -121.32 132.25 54.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.584 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -93.14 139.72 30.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.229 0.538 . . . . 15.0 110.73 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.8 p -89.6 150.8 22.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.101 -0.954 . . . . 15.0 108.453 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.6 -33.66 0.74 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.678 0.992 . . . . 15.0 113.678 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.34 -5.65 59.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.026 0.441 . . . . 15.0 111.363 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.71 59.72 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.754 -0.657 . . . . 15.0 113.765 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -126.12 124.82 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.301 -0.629 . . . . 15.0 109.301 172.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.7 p -101.96 104.04 14.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.593 0.235 . . . . 15.0 111.356 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -93.61 138.58 31.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.185 -0.672 . . . . 15.0 109.185 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.714 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 50.5 m-85 -98.18 120.87 39.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.331 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.93 130.35 55.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.723 -0.672 . . . . 15.0 111.408 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.0 t-20 -107.53 125.66 51.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.024 175.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -80.4 -7.62 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.516 -0.311 . . . . 15.0 111.451 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.562 ' HD3' ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -78.3 -48.49 15.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.335 . . . . 15.0 111.17 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 23.3 p -116.51 6.25 13.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.15 0.426 . . . . 15.0 112.15 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 31.0 m0 63.18 29.97 16.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.143 0.497 . . . . 15.0 110.014 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.61 136.2 33.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.816 -172.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.8 m -123.93 113.03 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -134.64 150.38 50.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.187 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -85.52 3.53 40.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 15.0 110.323 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.82 131.71 36.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -89.72 116.56 66.66 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 15.0 110.761 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.627 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 61.0 Cg_endo -70.27 150.23 64.8 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.692 2.928 . . . . 15.0 112.72 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -60.18 -26.48 66.36 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.508 0.558 . . . . 15.0 112.508 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.521 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 6.2 pt-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.113 0.483 . . . . 15.0 110.621 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.1 pt-20 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.086 0.47 . . . . 15.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 64.7 m95 -105.39 114.09 28.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 15.0 109.697 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.2 m -96.99 143.77 27.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.964 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -92.82 132.0 37.37 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.856 0.836 . . . . 15.0 111.208 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.17 124.48 26.09 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.62 -1.627 . . . . 15.0 109.21 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.577 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 3.2 ttmp? -116.59 142.55 46.75 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.848 -174.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.65 150.51 22.33 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.564 -0.902 . . . . 15.0 108.564 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.15 -38.3 2.39 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.267 0.84 . . . . 15.0 113.267 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.6 p-10 -73.46 -7.77 53.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.018 0.437 . . . . 15.0 111.254 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.422 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.12 42.72 5.21 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.711 -0.677 . . . . 15.0 113.701 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.544 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 0.0 OUTLIER -101.67 119.26 38.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.273 -0.64 . . . . 15.0 109.273 170.301 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.479 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 9.0 p -96.28 112.93 24.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 15.0 111.455 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -111.08 125.05 53.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.351 0.596 . . . . 15.0 109.65 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -89.98 122.49 33.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.995 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -104.88 116.89 32.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.963 -173.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -90.19 118.65 29.88 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -74.88 -15.01 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.8 0.296 . . . . 15.0 111.8 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -79.31 -34.19 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.471 . . . . 15.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.9 p -111.97 -11.64 13.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.302 -176.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m95 64.35 25.16 13.4 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.547 0.689 . . . . 15.0 109.688 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.64 123.12 39.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.877 -1.056 . . . . 15.0 110.657 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -106.37 118.1 35.77 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.326 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.4 t -121.25 150.24 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.647 0.26 . . . . 15.0 110.698 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 81.9 m95 -89.59 -10.92 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.42 0.629 . . . . 15.0 109.986 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.22 156.56 20.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 15.0 109.413 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -89.76 121.41 69.05 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.036 0.446 . . . . 15.0 110.824 -176.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.09 150.17 58.32 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.501 2.8 . . . . 15.0 111.751 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -29.2 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 123.266 0.627 . . . . 15.0 112.196 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.884 0.373 . . . . 15.0 111.472 179.059 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.505 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.3 pm0 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.197 0.522 . . . . 15.0 110.208 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.505 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 78.5 m95 -104.79 128.9 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.45 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.9 m -117.77 144.88 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.21 138.16 31.87 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.754 0.787 . . . . 15.0 111.122 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -132.85 124.59 28.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.107 -1.406 . . . . 15.0 109.339 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -107.8 143.7 35.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.895 -0.593 . . . . 15.0 110.698 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.1 p -89.55 150.74 22.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.33 -35.25 5.19 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.791 0.663 . . . . 15.0 112.791 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.41 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 4.8 p-10 -80.72 -1.96 44.87 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.012 0.434 . . . . 15.0 111.219 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 84.92 51.52 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.671 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.41 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 42.5 mmtm -116.07 122.29 44.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 170.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.2 p -93.73 112.14 23.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.803 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -107.37 128.21 54.27 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 172.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -91.13 126.91 36.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.273 0.558 . . . . 15.0 110.831 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.445 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 85.2 t80 -105.85 117.5 34.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.629 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.407 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 23.1 t-20 -90.0 119.84 30.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.529 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -77.83 -8.3 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 15.0 112.073 -173.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 434' ' ' GLU . 18.2 mtm180 -81.15 -43.08 19.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.712 -0.395 . . . . 15.0 110.557 -178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -119.89 7.23 10.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.414 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 17.5 m0 63.44 28.38 15.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.407 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.428 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.3 tp10 -92.04 132.89 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.918 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.445 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 13.0 m -115.0 116.05 27.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 175.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -136.49 150.17 48.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.084 0.468 . . . . 15.0 111.163 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -82.04 -3.34 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.82 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.87 149.07 32.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 15.0 109.843 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -89.83 124.7 63.09 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.471 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 435' ' ' TRP . 16.6 Cg_endo -59.03 149.31 80.51 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.51 2.807 . . . . 15.0 112.577 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -68.42 -18.25 64.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.644 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 15.0 110.681 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.603 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.3 pt-20 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.17 0.51 . . . . 15.0 109.922 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.603 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 80.5 m95 -111.53 122.12 46.99 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.306 173.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -102.87 138.63 39.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.706 -0.479 . . . . 15.0 109.706 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -96.56 136.8 36.57 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.72 0.772 . . . . 15.0 111.619 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -134.13 129.68 36.26 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.21 -1.359 . . . . 15.0 109.25 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.48 ' HG3' HG21 ' A' ' 445' ' ' THR . 15.2 ttmm -109.06 140.88 42.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.271 0.558 . . . . 15.0 110.439 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.5 p -89.57 150.76 22.27 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.203 -0.908 . . . . 15.0 109.062 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.4 -34.75 1.36 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -84.84 5.09 30.16 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.284 0.564 . . . . 15.0 111.225 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.74 39.83 10.19 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.743 171.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -102.05 123.64 46.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.48 HG21 ' HG3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -103.74 111.29 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.061 0.458 . . . . 15.0 111.795 -178.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -107.33 126.81 52.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.69 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.5 121.85 32.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.296 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -106.71 116.49 32.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.361 -0.836 . . . . 15.0 111.206 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -89.89 125.55 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.719 -0.474 . . . . 15.0 109.719 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -80.95 0.95 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 15.0 112.375 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -91.08 -45.26 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 15.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -112.33 4.24 17.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 54.5 m0 60.49 29.41 18.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.266 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -89.48 125.86 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 15.0 111.051 -173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -108.23 117.81 35.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.336 -0.393 . . . . 15.0 109.97 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -122.53 150.09 43.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.495 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -91.57 -1.17 57.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.5 . . . . 15.0 110.458 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.96 159.4 14.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.755 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -89.97 122.54 67.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 15.0 111.234 -172.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.27 150.18 81.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 124.394 3.396 . . . . 15.0 113.734 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.1 -25.51 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.107 -0.951 . . . . 15.0 112.298 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 15.0 111.339 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.764 ' HG2' ' HD1' ' A' ' 435' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.543 -0.54 . . . . 15.0 109.543 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.764 ' HD1' ' HG2' ' A' ' 434' ' ' GLU . 80.2 m95 -121.74 104.97 9.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.633 174.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.1 m -91.94 132.33 36.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.125 -0.694 . . . . 15.0 109.125 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.452 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -105.9 134.64 48.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.515 0.674 . . . . 15.0 111.187 -174.091 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 92.3 m-85 -124.96 133.03 53.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.317 -0.856 . . . . 15.0 109.406 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -104.95 144.05 32.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 15.0 110.656 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.3 p -89.58 150.63 22.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.421 -0.809 . . . . 15.0 109.387 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.59 0.99 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.611 0.967 . . . . 15.0 113.611 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.542 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 5.3 p-10 -82.72 -4.81 58.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 15.0 111.001 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 43.86 4.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.811 -0.632 . . . . 15.0 113.883 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.542 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.2 mmtm -112.08 119.69 39.28 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.222 -0.658 . . . . 15.0 109.222 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -100.0 128.15 46.12 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.863 0.364 . . . . 15.0 111.031 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 48.9 p90 -115.04 137.46 51.98 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.452 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 35.8 m-85 -97.6 122.63 40.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.449 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.628 ' HH ' ' HB3' ' A' ' 453' ' ' TRP . 24.0 t80 -105.21 117.31 33.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.952 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.638 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 25.7 t-20 -89.96 121.96 32.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -81.7 4.37 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.863 -173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -94.69 -49.76 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 15.0 109.997 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -101.96 -2.04 30.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.909 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . 0.628 ' HB3' ' HH ' ' A' ' 448' ' ' TYR . 3.6 m-90 62.58 27.63 16.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.483 -0.781 . . . . 15.0 110.516 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.49 140.08 31.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 15.0 111.11 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -107.97 113.45 26.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.075 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 30.4 m -122.78 136.86 55.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.275 -0.42 . . . . 15.0 110.618 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -83.45 -26.26 30.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.089 0.471 . . . . 15.0 110.912 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.64 150.81 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.981 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -89.72 118.5 69.04 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.26 0.552 . . . . 15.0 111.579 -173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.525 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 31.6 Cg_endo -62.77 150.65 87.46 Favored 'Trans proline' 0 N--CA 1.473 0.295 0 C-N-CA 124.399 3.399 . . . . 15.0 113.259 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.499 ' HA ' HE21 ' A' ' 461' ' ' GLN . 0.0 OUTLIER -57.48 -31.14 65.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.976 -0.557 . . . . 15.0 112.064 178.577 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.7 pm0 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.833 0.349 . . . . 15.0 111.15 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.6 pt-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.156 0.503 . . . . 15.0 111.357 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 72.9 m95 -115.05 112.66 22.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.6 m -100.74 143.02 31.39 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.465 -0.569 . . . . 15.0 109.465 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -114.67 139.21 49.84 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.408 0.623 . . . . 15.0 111.399 -174.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.32 131.55 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.365 -0.834 . . . . 15.0 108.956 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 31.5 ttmt -90.67 141.67 28.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 15.0 110.588 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 p -89.61 150.74 22.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.522 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.19 -30.19 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.832 1.049 . . . . 15.0 113.832 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.54 3.39 47.66 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.303 0.573 . . . . 15.0 110.865 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.45 52.0 4.13 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.5 -0.773 . . . . 15.0 113.361 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -126.73 126.68 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.4 p -93.89 107.55 19.44 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.155 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -90.12 135.83 33.42 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 38.6 m-85 -99.47 122.51 42.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.661 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.476 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 79.1 t80 -110.31 118.85 37.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.159 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 3.3 t-20 -90.7 120.05 31.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.529 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -77.28 -7.52 56.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.803 0.298 . . . . 15.0 111.803 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.402 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 32.7 mtm180 -98.08 -17.1 19.29 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.836 -0.346 . . . . 15.0 111.761 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 35.3 p -119.99 -11.62 9.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.769 0.319 . . . . 15.0 110.414 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 63.49 30.15 15.27 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.927 0.87 . . . . 15.0 109.753 -178.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 7.5 tp10 -95.02 129.6 42.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.336 -1.302 . . . . 15.0 110.894 -176.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.476 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 19.4 m -114.44 110.22 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.737 -0.468 . . . . 15.0 109.737 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -125.08 150.15 47.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 15.0 110.927 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -88.99 -0.91 57.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.054 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.52 156.15 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.577 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -89.77 115.49 63.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 15.0 110.306 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.77 150.07 89.29 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.396 2.731 . . . . 15.0 111.526 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -68.8 -26.31 65.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 15.0 110.355 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.642 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.114 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.502 ' OE1' ' HD3' ' A' ' 451' ' ' ARG . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.983 0.42 . . . . 15.0 111.191 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.494 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 71.7 m95 -105.87 119.74 39.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.74 -0.664 . . . . 15.0 110.657 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.5 m -107.35 135.8 48.23 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.823 -0.806 . . . . 15.0 108.823 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.6 OUTLIER -108.88 134.1 52.02 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.614 0.721 . . . . 15.0 110.82 -177.164 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.64 124.53 44.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.128 -0.942 . . . . 15.0 109.669 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -107.24 142.16 37.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.224 0.535 . . . . 15.0 110.259 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.8 p -89.45 150.68 22.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.312 -0.858 . . . . 15.0 108.809 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.45 -31.04 0.96 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.327 0.862 . . . . 15.0 113.327 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.09 -4.79 59.17 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.162 0.506 . . . . 15.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 43.68 4.97 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.715 -0.675 . . . . 15.0 113.946 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -99.69 110.58 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.359 -0.978 . . . . 15.0 108.359 166.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -107.88 125.24 51.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.905 0.383 . . . . 15.0 110.385 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.5 p90 -125.67 139.99 53.09 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.934 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.4 m-85 -98.41 122.44 41.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.627 -175.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -108.71 119.42 39.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.885 -173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.91 118.3 29.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 15.0 109.519 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -74.53 -8.52 56.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.635 0.605 . . . . 15.0 112.635 -171.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.502 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 24.0 mtm180 -77.2 -64.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.45 0.643 . . . . 15.0 109.94 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.0 p -102.4 6.65 40.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.25 -0.887 . . . . 15.0 111.964 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 26.1 m0 65.11 30.22 11.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.209 0.528 . . . . 15.0 110.658 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.67 123.4 33.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.459 -172.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.3 m -114.21 124.14 51.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.595 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.4 t -133.7 149.91 51.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.411 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 64.6 m95 -90.94 0.28 57.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.231 0.539 . . . . 15.0 110.305 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -98.09 148.55 23.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -89.69 113.49 57.03 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.536 -0.302 . . . . 15.0 110.247 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.14 142.25 86.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.077 2.518 . . . . 15.0 111.643 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -21.45 29.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 111.475 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.42 177.294 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.849 0.357 . . . . 15.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 75.2 m95 -126.26 111.22 14.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.736 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.2 m -99.0 139.43 34.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.443 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -101.06 137.81 38.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.431 0.634 . . . . 15.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -136.69 132.13 34.51 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.624 -1.171 . . . . 15.0 109.528 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -106.66 135.64 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.323 0.583 . . . . 15.0 111.179 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 39.3 p -89.69 150.88 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 15.0 109.023 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -36.19 0.23 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.931 1.086 . . . . 15.0 113.931 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.594 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.1 p-10 -82.88 -4.92 58.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.989 -0.444 . . . . 15.0 111.375 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 30.23 13.31 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.9 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.68 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -91.68 123.71 35.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.539 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 p -98.52 106.15 18.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.544 -0.298 . . . . 15.0 111.086 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.477 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.6 p90 -96.67 135.21 38.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -103.09 129.66 50.0 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.46 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -113.26 117.95 33.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.919 -175.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 18.0 t-20 -90.47 128.29 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.562 ' N ' HD21 ' A' ' 450' ' ' ASN . 0.7 OUTLIER -81.8 -4.9 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.711 -172.441 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 451' ' ' ARG . 34.4 mtm-85 -86.88 -52.07 5.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.141 0.496 . . . . 15.0 110.508 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.6 p -99.72 -1.34 38.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.851 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 60.52 29.86 19.32 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.554 0.692 . . . . 15.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.08 125.55 38.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.021 -0.99 . . . . 15.0 110.695 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.7 p -111.41 112.77 24.75 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.014 -0.993 . . . . 15.0 110.045 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -126.31 150.26 48.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.135 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.477 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -85.94 -7.24 58.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 15.0 111.297 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.68 150.9 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.56 -0.533 . . . . 15.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -89.78 110.41 39.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.965 -0.383 . . . . 15.0 109.965 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.3 149.93 61.63 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.685 2.924 . . . . 15.0 113.04 -174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.32 -24.93 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 15.0 111.16 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.6 pm0 . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.757 0.313 . . . . 15.0 110.804 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.5 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 22.0 mm-40 . . . . . 0 C--O 1.237 0.408 0 CA-C-O 121.106 0.479 . . . . 15.0 111.262 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.411 ' HD1' ' CG ' ' A' ' 462' ' ' GLU . 76.3 m95 -110.38 122.49 47.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.734 -0.667 . . . . 15.0 110.356 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -104.42 143.6 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.74 128.95 53.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.652 0.739 . . . . 15.0 111.43 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.88 137.19 47.93 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.489 -1.232 . . . . 15.0 110.185 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -96.35 144.08 26.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.221 0.534 . . . . 15.0 110.918 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.3 p -89.72 150.92 22.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.143 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.78 -30.13 0.23 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.19 -3.68 55.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.171 0.51 . . . . 15.0 111.324 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 49.93 3.17 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.78 -0.645 . . . . 15.0 113.934 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -120.23 125.5 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.4 p -89.93 109.72 20.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.773 0.32 . . . . 15.0 111.404 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -96.42 132.33 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -98.29 118.93 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.135 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.595 ' HH ' ' HB3' ' A' ' 453' ' ' TRP . 26.7 t80 -107.6 121.41 44.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.033 -171.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -89.93 116.31 27.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.848 -0.797 . . . . 15.0 108.848 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.77 -2.24 22.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.671 0.607 . . . . 15.0 111.533 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.5 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 30.0 mtm180 -86.08 -63.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 15.0 110.202 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -87.56 -3.79 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.149 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' TRP . . . . . 0.595 ' HB3' ' HH ' ' A' ' 448' ' ' TYR . 4.4 m-90 61.9 30.0 18.01 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 115.613 -0.721 . . . . 15.0 110.021 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.12 146.0 23.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.051 -0.977 . . . . 15.0 110.589 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.2 t -124.39 112.07 16.5 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -130.46 150.4 51.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 15.0 111.144 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -83.46 -4.59 58.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.291 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.05 135.32 43.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.515 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 57.8 tttp -89.82 112.02 49.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.236 0.541 . . . . 15.0 110.062 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.8 Cg_exo -69.6 150.32 69.04 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.967 3.111 . . . . 15.0 112.752 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.73 -30.44 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.431 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.411 ' CG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.362 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.925 0 N-CA-C 112.581 -0.208 . . . . 15.0 112.581 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.27 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 15.0 110.364 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.1 t -87.87 29.39 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.441 0.639 . . . . 15.0 109.353 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.7 70.9 0.62 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.798 -1.092 . . . . 15.0 110.295 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 97.8 t 71.27 151.58 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 113.776 -1.556 . . . . 15.0 111.453 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.5 t 78.76 27.21 0.46 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.901 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.1 pm0 -82.66 -10.31 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.815 -1.084 . . . . 15.0 109.995 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.485 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 76.3 m95 -104.87 116.68 32.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.051 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.2 m -109.71 141.07 42.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.088 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.93 135.52 33.68 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.817 0.818 . . . . 15.0 110.935 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -129.3 124.16 33.65 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.927 -1.488 . . . . 15.0 109.239 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -106.76 142.22 36.74 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.712 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.5 p -89.9 150.57 22.13 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.342 -0.984 . . . . 15.0 108.342 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.69 2.04 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.829 0.677 . . . . 15.0 112.829 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.505 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.7 p-10 -81.35 -5.17 57.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.873 0.368 . . . . 15.0 111.417 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.4 44.81 5.17 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 116.049 -0.523 . . . . 15.0 113.678 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.505 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 49.1 mmtm -106.6 127.31 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.164 -0.68 . . . . 15.0 109.164 170.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 22.3 p -102.83 110.01 21.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.583 -0.28 . . . . 15.0 111.672 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.425 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.1 p90 -107.88 136.06 48.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 173.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -96.57 122.46 39.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.154 0.502 . . . . 15.0 110.891 -174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -96.57 122.42 39.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.489 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.5 t-20 -101.98 125.21 48.61 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.459 -0.792 . . . . 15.0 110.45 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.96 -1.24 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.965 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 19.5 mtm180 -83.7 -42.72 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.478 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.3 p -120.04 4.9 10.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.927 0.344 . . . . 15.0 111.927 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.6 m0 65.0 29.88 12.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.458 . . . . 15.0 110.495 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -89.57 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.824 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.6 m -124.57 98.75 5.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -124.04 150.2 45.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.864 0.364 . . . . 15.0 111.026 -173.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 69.8 m95 -81.12 -3.19 51.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.197 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -77.31 145.83 37.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.114 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.607 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 80.7 tttt -89.81 118.61 69.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.855 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 18.3 Cg_endo -59.81 150.08 79.55 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.653 2.902 . . . . 15.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 2.2 mp0 -73.98 -22.35 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.678 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 2.0 pm0 -80.57 -2.2 45.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.009 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.855 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 42.1 tp -138.28 8.95 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.041 0.448 . . . . 15.0 110.798 -176.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.607 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 21.7 ptmt . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.832 -0.604 . . . . 15.0 111.398 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.147 -0.381 . . . . 15.0 112.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -148.03 122.33 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.1 p -87.9 78.85 8.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.859 0.362 . . . . 15.0 110.615 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.36 114.93 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.365 -0.834 . . . . 15.0 110.45 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.84 46.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.645 1.212 . . . . 15.0 110.793 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.9 m 53.32 27.39 6.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.811 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.15 -50.42 2.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.179 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.615 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 86.1 m95 -89.77 118.49 29.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 15.0 110.645 -175.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 5.4 m -105.69 144.36 32.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.86 -0.609 . . . . 15.0 110.136 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -101.21 136.52 40.93 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.44 0.638 . . . . 15.0 110.679 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.6 m-85 -137.61 129.58 28.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.836 -1.074 . . . . 15.0 110.066 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -103.47 138.92 39.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 15.0 110.337 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.1 p -89.48 150.73 22.34 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.017 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.58 -30.03 1.37 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.447 0.906 . . . . 15.0 113.447 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -85.74 2.18 46.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.22 0.533 . . . . 15.0 110.94 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 77.97 62.17 2.4 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.564 -0.744 . . . . 15.0 113.403 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.5 mmtm -126.73 122.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 170.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 6.4 p -98.24 116.25 30.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 15.0 111.281 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -113.19 136.97 52.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.648 176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 455' ' ' SER . 71.0 m-85 -96.89 127.21 42.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 15.0 109.929 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 83.6 t80 -107.89 124.76 50.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 15.0 111.208 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 26.3 t-20 -105.16 135.06 47.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 15.0 110.325 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -93.44 -5.11 50.05 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.353 0.408 . . . . 15.0 111.58 -173.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -78.98 -51.17 9.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.324 0.583 . . . . 15.0 109.947 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.9 p -110.49 0.37 17.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.584 -0.734 . . . . 15.0 112.02 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 50.0 m0 64.35 30.02 13.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.492 0.663 . . . . 15.0 110.048 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.23 131.63 35.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.518 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 9.8 m -121.8 102.1 7.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.936 -0.574 . . . . 15.0 109.481 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -118.06 150.16 39.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.027 0.441 . . . . 15.0 110.975 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 57.7 m95 -87.23 -6.86 58.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.701 -0.681 . . . . 15.0 109.728 177.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.08 165.02 13.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.514 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 52.7 mtpt -89.78 123.32 66.66 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.095 0.474 . . . . 15.0 111.626 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 18.7 Cg_endo -60.16 150.17 80.87 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.676 2.918 . . . . 15.0 112.474 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.9 -19.38 65.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.418 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.419 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.6 pm0 -89.05 5.85 42.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.586 175.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.624 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 36.6 tp -113.2 8.87 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 173.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.247 0.943 0 CA-C-N 114.452 -1.249 . . . . 15.0 110.203 -174.008 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.859 -0.496 . . . . 15.0 111.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -139.25 93.28 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 15.0 110.668 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.6 m -82.66 73.54 9.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.061 0.458 . . . . 15.0 110.178 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.1 87.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.087 -0.96 . . . . 15.0 111.93 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.8 m -81.2 48.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.822 0.82 . . . . 15.0 110.674 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 57.0 m 56.67 26.68 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.303 -1.317 . . . . 15.0 111.403 -174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 4.4 tp10 -98.64 -62.71 1.2 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.686 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 92.7 m95 -107.32 115.04 29.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.286 -0.87 . . . . 15.0 109.799 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -105.41 142.54 34.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.693 -0.484 . . . . 15.0 109.693 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.481 ' OE2' HG23 ' A' ' 445' ' ' THR . 11.6 tm-20 -89.85 133.37 34.77 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.165 0.983 . . . . 15.0 109.756 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.7 125.78 36.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.701 -1.591 . . . . 15.0 109.128 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -103.58 144.23 31.7 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.965 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.8 p -89.67 150.92 22.13 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.769 -1.105 . . . . 15.0 109.022 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.98 -29.71 0.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.517 0.562 . . . . 15.0 112.517 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -9.42 59.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.08 0.4 . . . . 15.0 112.08 178.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 35.55 7.61 Favored Glycine 0 CA--C 1.516 0.143 0 CA-C-N 116.268 -0.424 . . . . 15.0 113.978 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -102.19 131.3 48.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.481 HG23 ' OE2' ' A' ' 437' ' ' GLU . 18.8 p -91.97 111.5 23.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.73 -177.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.2 p90 -115.3 122.78 46.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.552 0.691 . . . . 15.0 109.723 174.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.594 ' O ' ' HA ' ' A' ' 455' ' ' SER . 2.3 m-85 -90.06 118.76 29.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.14 -174.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -101.94 123.39 45.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.407 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 22.6 t-20 -106.04 130.49 53.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.016 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -84.29 1.45 44.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.709 0.633 . . . . 15.0 112.709 -172.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -81.28 -58.36 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.588 -0.523 . . . . 15.0 109.588 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 18.5 p -101.84 3.03 38.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.146 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 59.79 29.58 19.15 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.53 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -96.33 139.59 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.641 -0.709 . . . . 15.0 110.967 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.594 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.6 m -112.23 105.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.847 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -101.9 142.67 32.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.043 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -92.28 19.46 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 15.0 111.048 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.429 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 9.0 tp10 -149.61 163.53 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 34.1 mtmm -90.01 115.65 64.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.307 0.575 . . . . 15.0 112.396 -171.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.502 ' HG2' ' CE2' ' A' ' 435' ' ' TRP . 24.4 Cg_exo -66.27 150.53 84.69 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.766 3.644 . . . . 15.0 112.138 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -51.1 -21.17 1.76 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.444 0.905 . . . . 15.0 113.444 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.686 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 0.4 OUTLIER -78.21 2.91 16.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.288 0.566 . . . . 15.0 111.13 178.281 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 459' ' ' LYS . 33.7 tp -114.15 6.1 16.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.023 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 48.1 tptt . . . . . 0 C--O 1.247 0.929 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.729 -179.25 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.288 -0.325 . . . . 15.0 112.288 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 68.27 80.22 0.2 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.644 0.735 . . . . 15.0 111.106 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.2 m -110.4 29.45 7.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.939 -1.028 . . . . 15.0 109.762 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 432' ' ' VAL . . . 62.46 78.72 0.28 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.131 -172.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 431' ' ' ALA . 3.0 m 55.25 174.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.172 1.389 . . . . 15.0 112.189 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 49.2 m 79.54 27.93 0.35 Allowed 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.177 -1.829 . . . . 15.0 110.263 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.844 ' HG3' HH11 ' A' ' 451' ' ' ARG . 9.6 mm-40 -90.6 -16.26 29.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.971 -1.013 . . . . 15.0 109.473 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.553 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 77.5 m95 -95.92 116.49 29.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.698 -1.137 . . . . 15.0 110.114 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.0 m -104.08 145.45 30.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.184 -0.462 . . . . 15.0 109.893 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -99.0 135.27 40.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.748 0.785 . . . . 15.0 110.574 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -130.81 127.36 38.49 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.202 -1.363 . . . . 15.0 109.895 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -103.08 145.92 29.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.141 -0.481 . . . . 15.0 109.923 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.6 p -89.63 150.66 22.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.2 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.69 -30.32 0.91 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.704 0.631 . . . . 15.0 112.704 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.53 -7.79 59.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.833 0.349 . . . . 15.0 111.73 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.48 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.21 45.32 4.45 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 116.373 -0.376 . . . . 15.0 113.929 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' ' 443' ' ' GLY . 0.7 OUTLIER -115.67 131.66 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.8 p -101.03 127.05 47.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.893 0.331 . . . . 15.0 111.893 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.413 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 46.9 p90 -120.9 140.32 51.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.68 127.91 42.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.112 0.482 . . . . 15.0 110.779 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -113.14 118.86 35.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.387 -0.824 . . . . 15.0 110.69 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 6.7 t-20 -90.04 117.9 29.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.854 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -73.53 -6.96 49.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.619 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.844 HH11 ' HG3' ' A' ' 434' ' ' GLU . 29.1 mtm-85 -83.87 -35.85 23.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.932 0.396 . . . . 15.0 110.942 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -120.1 -4.87 10.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.796 -174.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 15.3 m0 63.3 29.65 15.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.413 0.625 . . . . 15.0 109.821 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.95 138.54 31.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 15.0 110.318 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -127.23 119.4 26.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.0 t -136.63 150.12 48.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.922 0.392 . . . . 15.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 61.8 m95 -84.98 -0.32 53.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.264 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.74 158.55 15.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.848 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 47.4 tttp -89.79 123.62 65.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 15.0 110.966 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.649 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -64.11 145.81 89.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.501 2.8 . . . . 15.0 112.674 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.72 -17.68 63.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 15.0 112.536 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.52 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.8 pt-20 -86.23 -1.88 57.87 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.325 0.583 . . . . 15.0 110.191 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.649 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.6 tp -130.28 15.08 5.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.508 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp . . . . . 0 C--O 1.253 1.28 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.414 -178.253 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.42 -0.672 . . . . 15.0 111.42 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 431' ' ' ALA . . . -133.46 150.8 51.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.937 0.368 . . . . 15.0 110.922 -179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.0 m 69.4 -2.86 1.75 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 122.072 0.939 . . . . 15.0 111.455 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' A' ' 429' ' ' ALA . . . -155.6 97.47 1.86 Allowed 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.692 -1.14 . . . . 15.0 108.927 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 38.9 t -136.27 139.66 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 15.0 111.043 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.8 m 69.09 33.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 15.0 112.511 172.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 13.3 mt-10 -90.69 -11.4 39.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.672 -0.862 . . . . 15.0 108.672 170.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.672 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 -94.95 105.17 17.07 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.302 -1.317 . . . . 15.0 108.318 169.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.427 ' HB ' ' CE2' ' A' ' 438' ' ' TYR . 1.8 m -90.1 137.92 31.95 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.99 129.17 36.35 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.804 0.811 . . . . 15.0 110.171 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 81.7 m-85 -129.95 123.45 30.71 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.146 -1.388 . . . . 15.0 110.243 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -101.72 141.64 34.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.161 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.3 p -89.47 150.45 22.48 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.33 -0.989 . . . . 15.0 108.33 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.03 -38.2 1.57 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.325 0.861 . . . . 15.0 113.325 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -79.02 -5.64 54.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.163 0.506 . . . . 15.0 111.506 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.08 58.57 1.67 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.893 -0.594 . . . . 15.0 113.659 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -123.3 117.35 25.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 170.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.0 p -95.98 118.38 32.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.681 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -115.17 144.5 43.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.39 -0.596 . . . . 15.0 109.39 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -101.12 123.4 45.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 15.0 109.92 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.4 t80 -115.34 117.14 29.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.131 -173.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.672 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 5.9 t-20 -89.9 120.61 31.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -74.75 -9.13 58.26 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.703 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.58 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 44.0 mtm-85 -80.21 -34.49 37.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 15.0 110.9 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.7 p -119.91 -7.71 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.422 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m0 62.82 29.85 16.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.608 0.718 . . . . 15.0 109.605 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 5.1 tp10 -89.88 139.99 30.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.691 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 m -121.91 125.14 45.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.849 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.6 t -142.65 150.1 39.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.69 0.281 . . . . 15.0 110.577 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -85.79 -7.01 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 15.0 110.509 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.88 160.71 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.236 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -89.66 125.28 61.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.314 0.578 . . . . 15.0 110.85 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.424 ' HG3' ' CB ' ' A' ' 435' ' ' TRP . 30.2 Cg_endo -63.1 150.14 89.47 Favored 'Trans proline' 0 C--N 1.335 -0.132 0 C-N-CA 123.83 3.02 . . . . 15.0 112.916 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -49.89 -28.4 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.166 -0.924 . . . . 15.0 112.45 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.486 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.4 pt-20 -90.48 -0.38 57.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.96 0.356 . . . . 15.0 111.96 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.407 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 32.8 tp -121.94 4.67 9.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 15.0 110.668 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.427 ' OXT' ' HG3' ' A' ' 464' ' ' LYS . 6.8 ptmm? . . . . . 0 C--O 1.244 0.773 0 CA-C-O 117.971 -1.014 . . . . 15.0 110.718 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.768 -0.533 . . . . 15.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -120.47 121.1 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.127 -0.324 . . . . 15.0 110.127 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.6 p -134.6 0.89 3.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.289 0.566 . . . . 15.0 111.55 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.685 ' HB2' HH11 ' A' ' 451' ' ' ARG . . . -158.99 81.48 0.78 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.013 176.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 433' ' ' SER . 86.8 t -85.81 133.51 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.537 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.194 -175.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 75.2 m 80.96 22.43 0.36 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 113.031 -1.895 . . . . 15.0 110.191 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 431' ' ' ALA . 0.4 OUTLIER -83.22 -28.06 29.51 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.681 -1.599 . . . . 15.0 107.445 171.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.637 ' HB3' HD23 ' A' ' 463' ' ' LEU . 41.2 m95 -96.5 145.98 25.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.888 -1.505 . . . . 15.0 109.364 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.1 m -143.83 141.65 30.46 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.743 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -106.36 139.6 40.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.431 0.634 . . . . 15.0 110.375 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -126.28 127.14 45.14 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.914 -1.039 . . . . 15.0 109.441 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -89.99 138.16 31.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.484 0.659 . . . . 15.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.4 p -89.43 150.84 22.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.771 -1.104 . . . . 15.0 108.717 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.13 -29.9 0.13 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.615 0.969 . . . . 15.0 113.615 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.507 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 6.5 p-10 -90.52 0.32 57.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 15.0 111.363 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 86.83 38.39 8.06 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.005 -0.543 . . . . 15.0 114.18 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.507 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 1.1 mmpp? -104.49 120.07 40.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 15.0 109.415 172.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.1 p -98.54 104.31 16.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.74 0.305 . . . . 15.0 111.376 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -94.94 138.44 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.743 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 58.5 m-85 -97.59 117.44 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.499 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 70.3 t80 -105.66 131.86 52.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.371 -173.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.49 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 18.4 t-20 -116.86 134.5 54.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.978 174.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -88.75 -15.45 34.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 15.0 111.552 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.685 HH11 ' HB2' ' A' ' 431' ' ' ALA . 19.6 mtm180 -69.42 -45.12 69.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 15.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.8 t -120.1 6.09 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 15.0 111.417 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m95 63.25 30.31 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.11 0.481 . . . . 15.0 111.007 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.545 ' HB2' HG23 ' A' ' 452' ' ' THR . 8.7 tp10 -89.42 129.94 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.911 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.97 99.97 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.015 -0.735 . . . . 15.0 109.015 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.0 t -120.26 150.33 40.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 15.0 110.856 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -88.1 0.63 55.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.469 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 10.1 tp10 -95.57 134.15 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.613 177.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 63.0 tttp -92.09 109.55 38.25 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 15.0 110.659 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.4 Cg_exo -65.13 150.17 88.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.579 2.852 . . . . 15.0 112.689 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.42 ' OE1' ' HD3' ' A' ' 464' ' ' LYS . 4.8 tp-100 -68.07 -14.47 63.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.47 0.653 . . . . 15.0 110.118 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.448 ' HG3' HG22 ' A' ' 432' ' ' VAL . 41.0 tt0 -89.1 2.26 54.37 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.033 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 435' ' ' TRP . 42.1 tp -130.5 23.06 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.318 -0.856 . . . . 15.0 110.427 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.42 ' HD3' ' OE1' ' A' ' 461' ' ' GLN . 52.9 pttt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.261 -0.876 . . . . 15.0 110.885 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.11 -0.396 . . . . 15.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.93 97.43 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.975 0.417 . . . . 15.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.1 m -84.24 116.1 22.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.318 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.97 84.66 0.14 Allowed 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.926 0.766 . . . . 15.0 111.019 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.837 HG12 ' H ' ' A' ' 433' ' ' SER . 3.4 t -82.08 -177.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 -178.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.837 ' H ' HG12 ' A' ' 432' ' ' VAL . 36.3 m 66.52 24.94 10.18 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.711 -1.131 . . . . 15.0 108.719 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.677 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.5 OUTLIER -91.11 -21.59 21.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.824 -1.535 . . . . 15.0 110.698 -175.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.677 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 85.9 m95 -104.63 116.71 32.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.367 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.2 m -102.53 145.27 29.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.903 -0.589 . . . . 15.0 109.938 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.97 135.77 39.9 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.02 0.914 . . . . 15.0 110.874 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -132.85 126.19 31.68 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 113.66 -1.609 . . . . 15.0 108.393 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.87 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 3.1 ttmp? -113.59 146.4 39.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.408 0.623 . . . . 15.0 110.998 -173.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.5 p -89.76 150.65 22.19 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.089 -0.959 . . . . 15.0 108.935 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.48 -32.84 0.97 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.243 0.831 . . . . 15.0 113.243 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.26 -3.03 57.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.137 0.494 . . . . 15.0 111.255 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.01 42.88 5.83 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.628 -0.715 . . . . 15.0 113.828 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.846 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 7.8 mmpt? -107.06 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.476 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 47.2 p -99.16 113.33 25.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.334 -0.394 . . . . 15.0 111.777 -175.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.9 p90 -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 171.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -90.01 126.87 35.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.314 -174.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -109.77 118.01 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.634 -0.712 . . . . 15.0 110.923 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.443 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.4 t-20 -91.33 121.82 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.977 -0.556 . . . . 15.0 109.886 177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -80.6 -6.01 57.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.955 0.354 . . . . 15.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.638 ' CZ ' ' HG3' ' A' ' 434' ' ' GLU . 24.5 mtm180 -75.49 -46.85 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.637 -0.425 . . . . 15.0 110.812 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.2 t -120.22 10.57 11.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.33 29.97 19.44 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.9 0.381 . . . . 15.0 111.682 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.16 135.12 33.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.323 0.582 . . . . 15.0 111.33 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -110.83 108.23 17.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.663 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.541 -0.3 . . . . 15.0 110.96 -173.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.453 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -90.98 -17.18 26.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.36 169.23 18.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.548 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.6 tttt -108.46 107.84 60.48 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.333 -0.547 . . . . 15.0 110.643 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 14.1 Cg_endo -56.25 145.1 79.03 Favored 'Trans proline' 0 N--CA 1.473 0.322 0 C-N-CA 123.957 3.104 . . . . 15.0 112.488 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.12 -28.59 69.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.053 0.39 . . . . 15.0 112.053 -176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.541 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.8 pm0 -67.96 -18.72 64.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.658 0.266 . . . . 15.0 111.648 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.548 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 37.9 tp -129.54 1.22 5.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.902 0.382 . . . . 15.0 111.174 -175.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.448 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 15.9 ttpp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.701 -0.666 . . . . 15.0 110.632 -174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 112.131 -0.387 . . . . 15.0 112.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.63 86.76 3.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.32 0.581 . . . . 15.0 110.765 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 37.8 p -91.09 -14.03 32.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.193 0.996 . . . . 15.0 109.966 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . 179.38 107.75 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 112.713 -2.04 . . . . 15.0 108.612 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 92.7 t 78.06 139.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 123.74 0.65 . . . . 15.0 110.804 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 33.9 t 78.31 22.15 0.78 Allowed 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.815 -1.084 . . . . 15.0 109.868 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.612 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -89.36 -18.49 26.76 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.415 -1.266 . . . . 15.0 109.599 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 87.4 m95 -108.85 106.51 16.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.1 -0.954 . . . . 15.0 109.653 174.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.4 m -90.15 140.6 29.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.489 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -102.56 133.95 46.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 15.0 111.393 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -136.85 125.15 23.23 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.503 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -101.96 142.05 33.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 15.0 110.275 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 60.3 p -89.73 150.63 22.22 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.03 -31.68 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.341 0.867 . . . . 15.0 113.341 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 9.6 p-10 -84.29 -0.47 52.53 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.275 0.56 . . . . 15.0 111.299 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 39.36 6.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.737 -0.665 . . . . 15.0 113.943 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 440' ' ' THR . 47.8 mmtm -106.57 120.76 42.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 p -98.45 107.04 19.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.577 0.227 . . . . 15.0 111.239 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.476 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.6 p90 -100.47 135.82 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.367 -0.605 . . . . 15.0 109.367 175.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -94.94 126.07 40.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.156 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 89.4 t80 -106.61 117.07 33.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.43 -176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB2' ' CZ2' ' A' ' 435' ' ' TRP . 4.7 t-20 -89.84 116.31 27.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -70.71 -8.08 49.44 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.706 0.629 . . . . 15.0 111.188 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.612 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 24.0 mtm180 -83.98 -35.71 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.17 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.7 p -120.08 -6.48 9.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.499 -0.319 . . . . 15.0 111.564 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 38.2 m0 65.1 29.84 11.85 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.827 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 9.6 tp10 -90.67 143.73 26.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.534 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.0 m -126.3 106.21 9.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 15.0 110.213 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.433 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 13.4 t -125.09 150.24 47.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.976 0.417 . . . . 15.0 110.884 -177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.476 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 38.9 m95 -90.44 -1.14 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.129 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.433 ' HG2' ' OG1' ' A' ' 456' ' ' THR . 11.3 pt-20 -97.56 168.34 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.235 -0.283 . . . . 15.0 110.235 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.766 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 35.9 ttmt -90.1 122.79 67.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 15.0 111.417 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 17.7 Cg_endo -63.49 149.93 89.81 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.421 2.747 . . . . 15.0 112.526 172.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.34 -27.83 68.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.608 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -79.31 -6.74 57.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.754 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.504 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -121.22 19.72 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.92 0.39 . . . . 15.0 110.383 -177.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.766 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.907 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.736 -0.546 . . . . 15.0 111.736 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -140.08 86.97 2.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.218 0.532 . . . . 15.0 110.639 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 17.2 p -101.69 -3.11 28.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.384 0.611 . . . . 15.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 178.91 103.98 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.419 -1.264 . . . . 15.0 109.445 -177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.433 ' C ' ' HG ' ' A' ' 433' ' ' SER . 58.6 t -137.95 148.65 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 15.0 110.366 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.433 ' HG ' ' C ' ' A' ' 432' ' ' VAL . 65.1 p 60.66 29.86 19.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.457 1.103 . . . . 15.0 112.581 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.897 ' HG3' HH11 ' A' ' 451' ' ' ARG . 5.4 mm-40 -84.84 -13.63 50.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.74 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.638 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 71.3 m95 -95.82 116.71 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.915 -1.039 . . . . 15.0 109.756 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -103.02 145.53 29.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.574 -0.528 . . . . 15.0 109.574 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 438' ' ' TYR . 3.5 tt0 -89.99 142.23 27.9 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.878 0.847 . . . . 15.0 111.162 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.488 ' N ' ' HG2' ' A' ' 437' ' ' GLU . 80.8 m-85 -134.77 124.91 25.92 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.784 -1.553 . . . . 15.0 108.524 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.613 ' HZ2' ' HB2' ' A' ' 439' ' ' LYS . 3.5 ttmp? -114.68 139.2 49.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.101 0.477 . . . . 15.0 110.467 -177.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.9 p -89.58 150.95 22.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.283 -0.872 . . . . 15.0 109.505 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -37.95 -40.48 0.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.229 1.196 . . . . 15.0 114.229 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.61 4.44 28.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.354 0.597 . . . . 15.0 111.464 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.69 49.31 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.316 -0.856 . . . . 15.0 113.89 172.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -112.98 127.55 56.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.2 p -100.83 117.66 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.979 0.419 . . . . 15.0 111.694 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 43.8 p90 -110.62 127.59 55.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.737 -0.838 . . . . 15.0 108.737 172.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -98.08 126.85 43.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.813 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -107.76 118.19 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.18 -0.918 . . . . 15.0 111.315 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.638 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.1 t-20 -90.08 124.84 35.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.395 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -79.7 -3.36 47.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.568 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.897 HH11 ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -87.26 -50.24 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.137 0.494 . . . . 15.0 110.52 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 40.9 p -106.63 1.87 25.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.073 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.8 m0 61.84 28.15 17.21 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.616 -0.72 . . . . 15.0 110.611 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.43 126.49 36.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 15.0 111.051 -172.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.5 m -107.09 112.02 24.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.251 -0.431 . . . . 15.0 109.846 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -120.68 150.1 41.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 110.804 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.8 m95 -86.58 0.15 54.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.194 0.521 . . . . 15.0 110.35 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -90.69 155.6 18.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.153 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -89.92 114.07 59.42 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.425 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.503 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 13.1 Cg_endo -56.96 146.38 80.22 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.888 3.058 . . . . 15.0 114.1 -175.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 14.1 mm100 -69.36 -19.71 63.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.119 -0.946 . . . . 15.0 112.135 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.495 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 13.0 pt-20 -93.25 1.84 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.288 0.566 . . . . 15.0 110.177 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.503 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 40.4 tp -108.29 10.11 27.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.736 . . . . 15.0 109.751 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.692 -0.671 . . . . 15.0 110.09 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.823 -0.511 . . . . 15.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.44 125.23 5.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 15.0 110.93 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 10.9 t -101.19 6.54 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.469 0.652 . . . . 15.0 109.311 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.654 ' HB3' HD13 ' A' ' 463' ' ' LEU . . . -158.95 118.04 3.01 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.453 -1.314 . . . . 15.0 107.453 -178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.39 53.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 123.598 0.561 . . . . 15.0 111.839 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.6 m 49.47 26.0 1.54 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.039 -0.982 . . . . 15.0 112.332 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.701 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 8.1 pt-20 -111.31 -23.59 10.72 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.284 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.586 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 97.4 m95 -128.37 107.75 10.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.019 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 142.56 33.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.024 -0.534 . . . . 15.0 109.995 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.11 136.96 38.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.394 0.616 . . . . 15.0 111.013 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.67 124.17 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.629 -1.169 . . . . 15.0 110.005 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.83 140.21 30.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.174 0.511 . . . . 15.0 110.637 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.3 p -89.65 151.0 22.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.012 . . . . 15.0 108.854 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -40.47 -35.03 0.4 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.22 -5.43 59.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.173 0.511 . . . . 15.0 111.247 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 45.43 4.5 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.698 -0.683 . . . . 15.0 113.551 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -109.75 119.45 39.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 p -92.7 105.09 17.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.702 0.287 . . . . 15.0 111.124 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -93.89 131.72 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.564 -0.532 . . . . 15.0 109.564 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -95.13 120.49 35.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.987 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -107.68 121.63 45.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.859 -171.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.6 t-20 -92.15 118.3 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -81.66 0.46 38.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.646 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 451' ' ' ARG . 24.5 mtm180 -87.76 -46.67 9.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.88 0.372 . . . . 15.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.0 p -108.92 -4.31 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.317 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 67.16 30.41 7.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.468 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.32 134.58 34.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.403 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 p -118.82 110.61 17.41 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.624 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -113.99 150.12 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 15.0 110.886 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -95.61 -5.71 41.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.194 0.521 . . . . 15.0 110.271 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.24 152.42 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.706 -0.85 . . . . 15.0 108.706 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -89.42 112.54 52.12 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 74.8 Cg_exo -51.92 150.08 18.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.987 3.125 . . . . 15.0 113.311 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -66.24 -22.6 66.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.799 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.586 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -78.37 -1.06 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.675 174.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 431' ' ' ALA . 56.0 tp -136.28 6.53 3.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.923 -175.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 63.1 mttm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.193 -0.908 . . . . 15.0 110.895 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.812 -0.515 . . . . 15.0 111.812 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -121.48 149.61 42.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.143 -0.317 . . . . 15.0 110.143 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.1 m 74.24 -0.1 3.45 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.748 0.785 . . . . 15.0 110.295 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -179.56 122.03 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.524 -1.216 . . . . 15.0 108.772 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.84 147.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 121.049 -0.26 . . . . 15.0 110.741 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.4 t 66.48 22.87 10.59 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.724 0.773 . . . . 15.0 111.214 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 -21.48 33.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.613 -1.176 . . . . 15.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.604 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 67.2 m95 -113.15 112.47 23.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.174 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -92.03 140.17 29.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.234 -0.654 . . . . 15.0 109.234 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -93.18 133.86 35.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.791 0.805 . . . . 15.0 111.128 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.61 124.39 23.93 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.945 -1.48 . . . . 15.0 108.773 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 26.7 ttmt -99.09 143.19 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.391 0.615 . . . . 15.0 111.069 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.0 p -89.64 150.78 22.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.105 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.84 -34.53 1.63 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.175 0.806 . . . . 15.0 113.175 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -78.77 -4.43 49.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.041 0.448 . . . . 15.0 111.397 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.96 37.48 7.24 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.945 -0.57 . . . . 15.0 113.283 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.854 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -109.59 125.22 52.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 173.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 36.2 p -92.34 107.47 19.24 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.234 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -93.34 126.62 38.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.408 ' HD2' ' O ' ' A' ' 458' ' ' GLU . 27.3 m-85 -90.42 123.92 34.53 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.217 0.532 . . . . 15.0 110.324 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.23 115.47 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.507 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.604 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.8 t-20 -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.362 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -78.53 -3.51 44.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.416 -0.811 . . . . 15.0 112.06 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 22.0 mtm180 -81.0 -63.31 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 15.0 110.081 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 29.3 p -104.66 7.63 34.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.242 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 13.2 m0 63.05 30.49 16.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.658 0.742 . . . . 15.0 110.472 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -89.85 127.71 36.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.893 -1.049 . . . . 15.0 110.519 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.29 117.52 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.795 0.331 . . . . 15.0 110.747 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.2 t -138.58 150.37 46.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.142 0.496 . . . . 15.0 110.842 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -80.3 -4.33 52.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.696 -0.684 . . . . 15.0 110.249 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.408 ' O ' ' HD2' ' A' ' 447' ' ' TYR . 33.5 mt-10 -79.93 151.5 30.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 20.4 tptm -91.82 112.8 56.45 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.726 0.298 . . . . 15.0 110.405 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.553 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 37.1 Cg_endo -67.18 150.05 81.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.133 2.555 . . . . 15.0 112.466 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.12 -28.81 69.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 15.0 111.249 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.485 ' HA ' ' HA3' ' A' ' 428' ' ' GLY . 2.4 pm0 -77.42 -4.51 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.695 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.553 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 23.6 tp -129.5 4.66 5.12 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.283 -0.865 . . . . 15.0 110.587 -176.467 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.053 -0.419 . . . . 15.0 112.053 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -146.1 105.77 3.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.688 0.28 . . . . 15.0 110.689 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.7 p -86.66 5.18 37.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.478 0.656 . . . . 15.0 110.615 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -171.07 123.52 0.6 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 433' ' ' SER . 40.0 t -114.14 135.2 54.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.817 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 49.9 m 80.41 26.65 0.29 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.431 1.082 . . . . 15.0 110.761 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.562 ' HG3' ' HD3' ' A' ' 451' ' ' ARG . 9.5 mm-40 -88.4 -25.1 22.85 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.688 -1.142 . . . . 15.0 110.874 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.627 ' CD2' ' HG3' ' A' ' 460' ' ' PRO . 68.1 m95 -101.89 129.38 48.12 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.6 -176.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -129.39 142.37 50.82 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.194 -0.669 . . . . 15.0 109.194 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.714 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -106.49 137.87 43.69 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.588 0.708 . . . . 15.0 110.408 177.588 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -121.32 132.25 54.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.584 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -93.14 139.72 30.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.229 0.538 . . . . 15.0 110.73 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.8 p -89.6 150.8 22.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.101 -0.954 . . . . 15.0 108.453 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.6 -33.66 0.74 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.678 0.992 . . . . 15.0 113.678 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.34 -5.65 59.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.026 0.441 . . . . 15.0 111.363 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.71 59.72 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.754 -0.657 . . . . 15.0 113.765 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -126.12 124.82 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.301 -0.629 . . . . 15.0 109.301 172.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.7 p -101.96 104.04 14.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.593 0.235 . . . . 15.0 111.356 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -93.61 138.58 31.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.185 -0.672 . . . . 15.0 109.185 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.714 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 50.5 m-85 -98.18 120.87 39.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.331 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.93 130.35 55.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.723 -0.672 . . . . 15.0 111.408 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.0 t-20 -107.53 125.66 51.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.024 175.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -80.4 -7.62 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.516 -0.311 . . . . 15.0 111.451 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.562 ' HD3' ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -78.3 -48.49 15.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.335 . . . . 15.0 111.17 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 23.3 p -116.51 6.25 13.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.15 0.426 . . . . 15.0 112.15 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 31.0 m0 63.18 29.97 16.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.143 0.497 . . . . 15.0 110.014 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.61 136.2 33.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.816 -172.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.8 m -123.93 113.03 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -134.64 150.38 50.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.187 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -85.52 3.53 40.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 15.0 110.323 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.82 131.71 36.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.471 ' HZ1' ' HG ' ' A' ' 463' ' ' LEU . 21.4 tttm -89.72 116.56 66.66 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 15.0 110.761 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.627 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 61.0 Cg_endo -70.27 150.23 64.8 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.692 2.928 . . . . 15.0 112.72 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -60.18 -26.48 66.36 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.508 0.558 . . . . 15.0 112.508 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.521 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 6.2 pt-20 -76.56 -11.36 59.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.113 0.483 . . . . 15.0 110.621 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.471 ' HG ' ' HZ1' ' A' ' 459' ' ' LYS . 38.0 tp -115.92 14.96 16.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 15.0 109.927 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 57.1 mtpt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.378 -0.82 . . . . 15.0 110.252 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.028 -0.429 . . . . 15.0 112.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 69.9 144.14 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.501 0.72 . . . . 15.0 111.28 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.4 m 71.01 2.29 4.17 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.006 0.908 . . . . 15.0 109.961 -175.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -162.96 113.71 1.44 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.643 -1.162 . . . . 15.0 109.363 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.24 143.2 22.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 15.0 109.294 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.625 ' HA ' ' OE1' ' A' ' 462' ' ' GLU . 50.5 m 62.25 31.86 17.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.382 0.611 . . . . 15.0 109.849 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.1 pt-20 -77.86 -9.77 59.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.544 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 64.7 m95 -105.39 114.09 28.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 15.0 109.697 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.2 m -96.99 143.77 27.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.964 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -92.82 132.0 37.37 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.856 0.836 . . . . 15.0 111.208 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.17 124.48 26.09 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.62 -1.627 . . . . 15.0 109.21 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.577 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 3.2 ttmp? -116.59 142.55 46.75 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.848 -174.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.65 150.51 22.33 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.564 -0.902 . . . . 15.0 108.564 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.15 -38.3 2.39 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.267 0.84 . . . . 15.0 113.267 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.6 p-10 -73.46 -7.77 53.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.018 0.437 . . . . 15.0 111.254 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.422 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.12 42.72 5.21 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.711 -0.677 . . . . 15.0 113.701 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.544 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 0.0 OUTLIER -101.67 119.26 38.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.273 -0.64 . . . . 15.0 109.273 170.301 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.479 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 9.0 p -96.28 112.93 24.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 15.0 111.455 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -111.08 125.05 53.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.351 0.596 . . . . 15.0 109.65 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -89.98 122.49 33.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.995 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -104.88 116.89 32.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.963 -173.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -90.19 118.65 29.88 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -74.88 -15.01 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.8 0.296 . . . . 15.0 111.8 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -79.31 -34.19 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.471 . . . . 15.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.9 p -111.97 -11.64 13.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.302 -176.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m95 64.35 25.16 13.4 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.547 0.689 . . . . 15.0 109.688 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.64 123.12 39.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.877 -1.056 . . . . 15.0 110.657 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -106.37 118.1 35.77 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.326 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.4 t -121.25 150.24 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.647 0.26 . . . . 15.0 110.698 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 81.9 m95 -89.59 -10.92 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.42 0.629 . . . . 15.0 109.986 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.22 156.56 20.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 15.0 109.413 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -89.76 121.41 69.05 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.036 0.446 . . . . 15.0 110.824 -176.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.09 150.17 58.32 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.501 2.8 . . . . 15.0 111.751 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -51.62 -29.2 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 123.266 0.627 . . . . 15.0 112.196 -178.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.625 ' OE1' ' HA ' ' A' ' 433' ' ' SER . 5.8 pt-20 -69.91 -8.47 49.02 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.884 0.373 . . . . 15.0 111.472 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.3 tp -133.39 8.63 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.509 0.671 . . . . 15.0 109.236 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.786 ' HZ3' ' HB3' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.59 -0.732 . . . . 15.0 109.688 -174.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.05 -0.42 . . . . 15.0 112.05 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -102.68 136.36 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.064 -0.347 . . . . 15.0 110.064 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.6 m -107.15 -2.93 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.738 0.78 . . . . 15.0 110.957 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -164.4 69.71 0.18 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.747 -1.115 . . . . 15.0 109.897 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 433' ' ' SER . 73.0 t -42.85 128.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 113.357 -1.747 . . . . 15.0 111.623 -176.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 37.5 t 89.67 28.71 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 112.386 -2.188 . . . . 15.0 109.356 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.505 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.3 pm0 -76.37 -14.33 60.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.063 -0.971 . . . . 15.0 110.208 176.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.505 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 78.5 m95 -104.79 128.9 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.45 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.9 m -117.77 144.88 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.21 138.16 31.87 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.754 0.787 . . . . 15.0 111.122 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -132.85 124.59 28.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.107 -1.406 . . . . 15.0 109.339 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -107.8 143.7 35.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.895 -0.593 . . . . 15.0 110.698 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.1 p -89.55 150.74 22.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.33 -35.25 5.19 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.791 0.663 . . . . 15.0 112.791 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.41 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 4.8 p-10 -80.72 -1.96 44.87 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.012 0.434 . . . . 15.0 111.219 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 84.92 51.52 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.671 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.41 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 42.5 mmtm -116.07 122.29 44.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 170.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.2 p -93.73 112.14 23.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.803 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -107.37 128.21 54.27 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 172.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -91.13 126.91 36.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.273 0.558 . . . . 15.0 110.831 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.445 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 85.2 t80 -105.85 117.5 34.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.629 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.407 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 23.1 t-20 -90.0 119.84 30.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.529 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -77.83 -8.3 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 15.0 112.073 -173.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 434' ' ' GLU . 18.2 mtm180 -81.15 -43.08 19.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.712 -0.395 . . . . 15.0 110.557 -178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -119.89 7.23 10.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.414 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 17.5 m0 63.44 28.38 15.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.407 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.428 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.3 tp10 -92.04 132.89 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.918 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.445 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 13.0 m -115.0 116.05 27.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 175.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -136.49 150.17 48.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.084 0.468 . . . . 15.0 111.163 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -82.04 -3.34 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.82 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.87 149.07 32.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 15.0 109.843 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.8 tttt -89.83 124.7 63.09 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.471 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 16.6 Cg_endo -59.03 149.31 80.51 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.51 2.807 . . . . 15.0 112.577 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -68.42 -18.25 64.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.644 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -10.46 50.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 15.0 110.681 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.579 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 43.1 tp -116.71 -1.87 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.725 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.547 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.86 -1.064 . . . . 15.0 112.077 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.701 -0.56 . . . . 15.0 111.701 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 67.58 151.04 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.099 0.56 . . . . 15.0 111.271 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 29.9 p 51.68 21.21 1.28 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.265 -0.88 . . . . 15.0 111.527 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -178.41 122.55 0.1 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.061 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.22 141.8 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.347 -0.983 . . . . 15.0 108.347 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 56.6 m 72.37 26.18 2.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.886 0.851 . . . . 15.0 110.116 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.603 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.3 pt-20 -72.6 -16.4 61.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.4 -1.273 . . . . 15.0 109.922 177.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.603 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 80.5 m95 -111.53 122.12 46.99 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.306 173.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -102.87 138.63 39.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.706 -0.479 . . . . 15.0 109.706 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -96.56 136.8 36.57 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.72 0.772 . . . . 15.0 111.619 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -134.13 129.68 36.26 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.21 -1.359 . . . . 15.0 109.25 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.48 ' HG3' HG21 ' A' ' 445' ' ' THR . 15.2 ttmm -109.06 140.88 42.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.271 0.558 . . . . 15.0 110.439 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.5 p -89.57 150.76 22.27 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.203 -0.908 . . . . 15.0 109.062 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.4 -34.75 1.36 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -84.84 5.09 30.16 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.284 0.564 . . . . 15.0 111.225 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.74 39.83 10.19 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.743 171.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -102.05 123.64 46.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.48 HG21 ' HG3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -103.74 111.29 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.061 0.458 . . . . 15.0 111.795 -178.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -107.33 126.81 52.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.69 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.5 121.85 32.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.296 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -106.71 116.49 32.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.361 -0.836 . . . . 15.0 111.206 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -89.89 125.55 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.719 -0.474 . . . . 15.0 109.719 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -80.95 0.95 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 15.0 112.375 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -91.08 -45.26 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 15.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -112.33 4.24 17.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 54.5 m0 60.49 29.41 18.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.266 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -89.48 125.86 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 15.0 111.051 -173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -108.23 117.81 35.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.336 -0.393 . . . . 15.0 109.97 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -122.53 150.09 43.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.495 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -91.57 -1.17 57.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.5 . . . . 15.0 110.458 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.96 159.4 14.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.755 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -89.97 122.54 67.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 15.0 111.234 -172.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.27 150.18 81.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 124.394 3.396 . . . . 15.0 113.734 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.1 -25.51 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.107 -0.951 . . . . 15.0 112.298 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -9.85 56.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 15.0 111.339 -176.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -114.85 2.64 14.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.594 0.711 . . . . 15.0 109.398 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.112 -178.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.628 -0.589 . . . . 15.0 111.628 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 430' ' ' THR . . . 56.28 89.9 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.77 0.428 . . . . 15.0 110.179 -175.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 429' ' ' ALA . 83.0 m 71.35 111.07 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.43 -0.805 . . . . 15.0 108.854 -166.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.25 79.33 0.22 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.197 -170.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.465 HG22 ' OE2' ' A' ' 434' ' ' GLU . 25.1 m -106.45 44.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.15 0.976 . . . . 15.0 110.375 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.4 m 58.27 30.06 18.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.574 -1.648 . . . . 15.0 111.252 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.764 ' HG2' ' HD1' ' A' ' 435' ' ' TRP . 0.0 OUTLIER -94.77 -33.98 12.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.543 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.764 ' HD1' ' HG2' ' A' ' 434' ' ' GLU . 80.2 m95 -121.74 104.97 9.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.633 174.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.1 m -91.94 132.33 36.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.125 -0.694 . . . . 15.0 109.125 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.452 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -105.9 134.64 48.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.515 0.674 . . . . 15.0 111.187 -174.091 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 92.3 m-85 -124.96 133.03 53.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.317 -0.856 . . . . 15.0 109.406 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -104.95 144.05 32.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 15.0 110.656 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.3 p -89.58 150.63 22.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.421 -0.809 . . . . 15.0 109.387 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.59 0.99 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.611 0.967 . . . . 15.0 113.611 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.542 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 5.3 p-10 -82.72 -4.81 58.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 15.0 111.001 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 43.86 4.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.811 -0.632 . . . . 15.0 113.883 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.542 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.2 mmtm -112.08 119.69 39.28 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.222 -0.658 . . . . 15.0 109.222 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -100.0 128.15 46.12 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.863 0.364 . . . . 15.0 111.031 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 48.9 p90 -115.04 137.46 51.98 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.452 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 35.8 m-85 -97.6 122.63 40.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.449 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.628 ' HH ' ' HB3' ' A' ' 453' ' ' TRP . 24.0 t80 -105.21 117.31 33.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.952 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.638 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 25.7 t-20 -89.96 121.96 32.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -81.7 4.37 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.863 -173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -94.69 -49.76 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 15.0 109.997 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -101.96 -2.04 30.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.909 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . 0.628 ' HB3' ' HH ' ' A' ' 448' ' ' TYR . 3.6 m-90 62.58 27.63 16.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.483 -0.781 . . . . 15.0 110.516 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.49 140.08 31.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 15.0 111.11 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -107.97 113.45 26.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.075 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 30.4 m -122.78 136.86 55.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.275 -0.42 . . . . 15.0 110.618 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -83.45 -26.26 30.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.089 0.471 . . . . 15.0 110.912 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.64 150.81 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.981 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -89.72 118.5 69.04 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.26 0.552 . . . . 15.0 111.579 -173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.525 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 31.6 Cg_endo -62.77 150.65 87.46 Favored 'Trans proline' 0 N--CA 1.473 0.295 0 C-N-CA 124.399 3.399 . . . . 15.0 113.259 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.499 ' HA ' HE21 ' A' ' 461' ' ' GLN . 0.0 OUTLIER -57.48 -31.14 65.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.976 -0.557 . . . . 15.0 112.064 178.577 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.7 pm0 -69.46 -15.96 63.37 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.833 0.349 . . . . 15.0 111.15 177.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 40.2 tp -112.19 1.28 16.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.337 0.589 . . . . 15.0 110.133 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.111 -0.947 . . . . 15.0 110.232 -178.341 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.04 -0.424 . . . . 15.0 112.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.415 ' HB1' ' HD3' ' A' ' 451' ' ' ARG . . . 62.72 102.78 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.031 0.532 . . . . 15.0 111.516 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.2 m -80.85 48.83 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.698 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 432' ' ' VAL . . . 57.12 82.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.073 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 431' ' ' ALA . 0.4 OUTLIER 75.61 162.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 124.159 0.983 . . . . 15.0 110.342 -175.412 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.1 t 73.5 39.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.485 -0.779 . . . . 15.0 110.38 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.6 pt-20 -76.24 3.74 10.17 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.357 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 72.9 m95 -115.05 112.66 22.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.6 m -100.74 143.02 31.39 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.465 -0.569 . . . . 15.0 109.465 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -114.67 139.21 49.84 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.408 0.623 . . . . 15.0 111.399 -174.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.32 131.55 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.365 -0.834 . . . . 15.0 108.956 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 31.5 ttmt -90.67 141.67 28.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 15.0 110.588 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 p -89.61 150.74 22.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.522 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.19 -30.19 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.832 1.049 . . . . 15.0 113.832 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.54 3.39 47.66 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.303 0.573 . . . . 15.0 110.865 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.45 52.0 4.13 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.5 -0.773 . . . . 15.0 113.361 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -126.73 126.68 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.4 p -93.89 107.55 19.44 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.155 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -90.12 135.83 33.42 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 38.6 m-85 -99.47 122.51 42.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.661 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.476 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 79.1 t80 -110.31 118.85 37.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.159 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 3.3 t-20 -90.7 120.05 31.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.529 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -77.28 -7.52 56.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.803 0.298 . . . . 15.0 111.803 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.415 ' HD3' ' HB1' ' A' ' 429' ' ' ALA . 32.7 mtm180 -98.08 -17.1 19.29 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.836 -0.346 . . . . 15.0 111.761 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 35.3 p -119.99 -11.62 9.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.769 0.319 . . . . 15.0 110.414 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 63.49 30.15 15.27 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.927 0.87 . . . . 15.0 109.753 -178.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 7.5 tp10 -95.02 129.6 42.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.336 -1.302 . . . . 15.0 110.894 -176.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.476 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 19.4 m -114.44 110.22 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.737 -0.468 . . . . 15.0 109.737 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -125.08 150.15 47.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 15.0 110.927 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -88.99 -0.91 57.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.054 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.52 156.15 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.577 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -89.77 115.49 63.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 15.0 110.306 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.77 150.07 89.29 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.396 2.731 . . . . 15.0 111.526 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -68.8 -26.31 65.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 15.0 110.355 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.642 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -72.44 -8.59 55.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.114 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.5 tp -135.17 20.36 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.988 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.504 -0.76 . . . . 15.0 111.326 -176.719 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.478 -0.649 . . . . 15.0 111.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.08 82.31 7.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.61 0.719 . . . . 15.0 111.341 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.8 t -97.67 -2.86 40.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 15.0 108.712 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 434' ' ' GLU . . . -157.55 108.5 2.27 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 113.907 -1.497 . . . . 15.0 109.247 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.27 153.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.6 m 69.07 23.95 6.33 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.96 0.886 . . . . 15.0 109.419 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.513 ' OE1' ' HB3' ' A' ' 431' ' ' ALA . 6.0 pt-20 -95.09 -2.83 49.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.262 -1.336 . . . . 15.0 111.191 -175.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.494 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 71.7 m95 -105.87 119.74 39.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.74 -0.664 . . . . 15.0 110.657 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.5 m -107.35 135.8 48.23 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.823 -0.806 . . . . 15.0 108.823 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.6 OUTLIER -108.88 134.1 52.02 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.614 0.721 . . . . 15.0 110.82 -177.164 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.64 124.53 44.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.128 -0.942 . . . . 15.0 109.669 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -107.24 142.16 37.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.224 0.535 . . . . 15.0 110.259 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.8 p -89.45 150.68 22.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.312 -0.858 . . . . 15.0 108.809 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.45 -31.04 0.96 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.327 0.862 . . . . 15.0 113.327 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.09 -4.79 59.17 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.162 0.506 . . . . 15.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 43.68 4.97 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.715 -0.675 . . . . 15.0 113.946 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -99.69 110.58 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.359 -0.978 . . . . 15.0 108.359 166.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -107.88 125.24 51.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.905 0.383 . . . . 15.0 110.385 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.5 p90 -125.67 139.99 53.09 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.934 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.4 m-85 -98.41 122.44 41.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.627 -175.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -108.71 119.42 39.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.885 -173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.91 118.3 29.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 15.0 109.519 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -74.53 -8.52 56.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.635 0.605 . . . . 15.0 112.635 -171.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.502 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 24.0 mtm180 -77.2 -64.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.45 0.643 . . . . 15.0 109.94 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.0 p -102.4 6.65 40.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.25 -0.887 . . . . 15.0 111.964 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 26.1 m0 65.11 30.22 11.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.209 0.528 . . . . 15.0 110.658 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.67 123.4 33.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.459 -172.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.3 m -114.21 124.14 51.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.595 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.4 t -133.7 149.91 51.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.411 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 64.6 m95 -90.94 0.28 57.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.231 0.539 . . . . 15.0 110.305 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -98.09 148.55 23.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.804 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 32.0 tttp -89.69 113.49 57.03 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.536 -0.302 . . . . 15.0 110.247 -173.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.14 142.25 86.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.077 2.518 . . . . 15.0 111.643 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -21.45 29.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 111.475 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.82 -22.69 64.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.42 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 tp -127.62 -10.68 5.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.865 0.364 . . . . 15.0 111.338 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.804 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 23.8 ttmm . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.501 -0.761 . . . . 15.0 110.818 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.282 -0.327 . . . . 15.0 112.282 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -96.58 84.28 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.285 0.564 . . . . 15.0 110.861 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' THR . . . . . 0.635 ' HB ' HD13 ' A' ' 463' ' ' LEU . 21.9 p -105.44 108.78 20.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.313 178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.654 ' HB1' HD12 ' A' ' 463' ' ' LEU . . . 56.02 84.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.849 0.718 . . . . 15.0 111.073 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.8 m -78.16 67.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 15.0 111.464 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.7 m 59.06 25.73 14.25 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.656 -1.156 . . . . 15.0 112.245 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 pt-20 -119.11 -22.38 7.23 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.122 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.558 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 75.2 m95 -126.26 111.22 14.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.736 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.2 m -99.0 139.43 34.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.443 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -101.06 137.81 38.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.431 0.634 . . . . 15.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -136.69 132.13 34.51 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.624 -1.171 . . . . 15.0 109.528 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -106.66 135.64 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.323 0.583 . . . . 15.0 111.179 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 39.3 p -89.69 150.88 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 15.0 109.023 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -36.19 0.23 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.931 1.086 . . . . 15.0 113.931 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.594 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.1 p-10 -82.88 -4.92 58.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.989 -0.444 . . . . 15.0 111.375 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 30.23 13.31 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.9 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.68 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -91.68 123.71 35.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.539 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 p -98.52 106.15 18.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.544 -0.298 . . . . 15.0 111.086 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.477 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.6 p90 -96.67 135.21 38.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -103.09 129.66 50.0 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.46 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -113.26 117.95 33.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.919 -175.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.519 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 18.0 t-20 -90.47 128.29 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.562 ' N ' HD21 ' A' ' 450' ' ' ASN . 0.7 OUTLIER -81.8 -4.9 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.711 -172.441 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 451' ' ' ARG . 34.4 mtm-85 -86.88 -52.07 5.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.141 0.496 . . . . 15.0 110.508 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.6 p -99.72 -1.34 38.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.851 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 60.52 29.86 19.32 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.554 0.692 . . . . 15.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.08 125.55 38.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.021 -0.99 . . . . 15.0 110.695 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.7 p -111.41 112.77 24.75 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.014 -0.993 . . . . 15.0 110.045 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -126.31 150.26 48.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.135 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.477 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -85.94 -7.24 58.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 15.0 111.297 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.68 150.9 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.56 -0.533 . . . . 15.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -89.78 110.41 39.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.965 -0.383 . . . . 15.0 109.965 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.3 149.93 61.63 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.685 2.924 . . . . 15.0 113.04 -174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.32 -24.93 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 15.0 111.16 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.6 pm0 -75.8 -7.21 53.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.757 0.313 . . . . 15.0 110.804 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.654 HD12 ' HB1' ' A' ' 431' ' ' ALA . 51.8 tp -120.24 7.25 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 15.0 109.8 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.606 ' HZ2' ' HB2' ' A' ' 464' ' ' LYS . 4.3 ttmp? . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.526 -0.749 . . . . 15.0 109.671 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.264 -0.334 . . . . 15.0 112.264 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . 0.457 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . . . -143.16 138.58 29.86 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.556 0.342 . . . . 15.0 110.12 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 24.7 p -88.4 19.79 3.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.345 0.593 . . . . 15.0 109.834 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.493 ' O ' HG13 ' A' ' 432' ' ' VAL . . . 61.25 64.54 1.08 Allowed 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.661 -1.154 . . . . 15.0 110.145 -174.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 431' ' ' ALA . 0.3 OUTLIER 66.43 160.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 112.768 -2.015 . . . . 15.0 111.234 -176.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.7 m 69.92 40.38 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.082 -0.963 . . . . 15.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.5 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 22.0 mm-40 -59.9 -21.01 60.49 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.123 -0.944 . . . . 15.0 111.262 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.411 ' HD1' ' CG ' ' A' ' 462' ' ' GLU . 76.3 m95 -110.38 122.49 47.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.734 -0.667 . . . . 15.0 110.356 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -104.42 143.6 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.74 128.95 53.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.652 0.739 . . . . 15.0 111.43 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.88 137.19 47.93 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.489 -1.232 . . . . 15.0 110.185 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -96.35 144.08 26.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.221 0.534 . . . . 15.0 110.918 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.3 p -89.72 150.92 22.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.143 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.78 -30.13 0.23 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.19 -3.68 55.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.171 0.51 . . . . 15.0 111.324 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 49.93 3.17 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.78 -0.645 . . . . 15.0 113.934 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -120.23 125.5 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.4 p -89.93 109.72 20.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.773 0.32 . . . . 15.0 111.404 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -96.42 132.33 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -98.29 118.93 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.135 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.595 ' HH ' ' HB3' ' A' ' 453' ' ' TRP . 26.7 t80 -107.6 121.41 44.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.033 -171.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -89.93 116.31 27.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.848 -0.797 . . . . 15.0 108.848 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.77 -2.24 22.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.671 0.607 . . . . 15.0 111.533 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.5 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 30.0 mtm180 -86.08 -63.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 15.0 110.202 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -87.56 -3.79 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.149 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' TRP . . . . . 0.595 ' HB3' ' HH ' ' A' ' 448' ' ' TYR . 4.4 m-90 61.9 30.0 18.01 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 115.613 -0.721 . . . . 15.0 110.021 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.12 146.0 23.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.051 -0.977 . . . . 15.0 110.589 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.2 t -124.39 112.07 16.5 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -130.46 150.4 51.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 15.0 111.144 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -83.46 -4.59 58.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.291 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.05 135.32 43.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.515 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 57.8 tttp -89.82 112.02 49.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.236 0.541 . . . . 15.0 110.062 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 15.8 Cg_exo -69.6 150.32 69.04 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.967 3.111 . . . . 15.0 112.752 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.73 -30.44 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.431 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.411 ' CG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -83.73 5.84 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.362 178.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.481 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 36.7 tp -127.34 14.39 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.206 0.527 . . . . 15.0 110.54 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.522 -0.752 . . . . 15.0 110.135 178.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.497 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.1 pm0 . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.148 0.499 . . . . 15.0 109.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 76.3 m95 -104.87 116.68 32.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.051 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.2 m -109.71 141.07 42.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.088 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.93 135.52 33.68 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.817 0.818 . . . . 15.0 110.935 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -129.3 124.16 33.65 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.927 -1.488 . . . . 15.0 109.239 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -106.76 142.22 36.74 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.712 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.5 p -89.9 150.57 22.13 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.342 -0.984 . . . . 15.0 108.342 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.69 2.04 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.829 0.677 . . . . 15.0 112.829 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.7 p-10 -81.35 -5.17 57.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.873 0.368 . . . . 15.0 111.417 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.4 44.81 5.17 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 116.049 -0.523 . . . . 15.0 113.678 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 49.1 mmtm -106.6 127.31 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.164 -0.68 . . . . 15.0 109.164 170.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 22.3 p -102.83 110.01 21.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.583 -0.28 . . . . 15.0 111.672 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.1 p90 -107.88 136.06 48.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 173.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -96.57 122.46 39.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.154 0.502 . . . . 15.0 110.891 -174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -96.57 122.42 39.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.489 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.5 t-20 -101.98 125.21 48.61 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.459 -0.792 . . . . 15.0 110.45 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.96 -1.24 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.965 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 19.5 mtm180 -83.7 -42.72 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.478 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.3 p -120.04 4.9 10.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.927 0.344 . . . . 15.0 111.927 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.6 m0 65.0 29.88 12.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.458 . . . . 15.0 110.495 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -89.57 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.824 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.6 m -124.57 98.75 5.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -124.04 150.2 45.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.864 0.364 . . . . 15.0 111.026 -173.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 69.8 m95 -81.12 -3.19 51.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.197 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -77.31 145.83 37.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.114 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 80.7 tttt -89.81 118.61 69.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 18.3 Cg_endo -59.81 150.08 79.55 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.653 2.902 . . . . 15.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.98 -22.35 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.678 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 2.0 pm0 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.009 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.057 0.456 . . . . 15.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.623 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 86.1 m95 -89.77 118.49 29.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 15.0 110.645 -175.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 5.4 m -105.69 144.36 32.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.86 -0.609 . . . . 15.0 110.136 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -101.21 136.52 40.93 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.44 0.638 . . . . 15.0 110.679 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.6 m-85 -137.61 129.58 28.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.836 -1.074 . . . . 15.0 110.066 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -103.47 138.92 39.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 15.0 110.337 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.1 p -89.48 150.73 22.34 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.017 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.58 -30.03 1.37 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.447 0.906 . . . . 15.0 113.447 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -85.74 2.18 46.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.22 0.533 . . . . 15.0 110.94 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 77.97 62.17 2.4 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.564 -0.744 . . . . 15.0 113.403 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.479 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.5 mmtm -126.73 122.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 170.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 6.4 p -98.24 116.25 30.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 15.0 111.281 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -113.19 136.97 52.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.648 176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 455' ' ' SER . 71.0 m-85 -96.89 127.21 42.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 15.0 109.929 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 83.6 t80 -107.89 124.76 50.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 15.0 111.208 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.623 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 26.3 t-20 -105.16 135.06 47.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 15.0 110.325 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -93.44 -5.11 50.05 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.353 0.408 . . . . 15.0 111.58 -173.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -78.98 -51.17 9.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.324 0.583 . . . . 15.0 109.947 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.9 p -110.49 0.37 17.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.584 -0.734 . . . . 15.0 112.02 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 50.0 m0 64.35 30.02 13.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.492 0.663 . . . . 15.0 110.048 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.23 131.63 35.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.518 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 9.8 m -121.8 102.1 7.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.936 -0.574 . . . . 15.0 109.481 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -118.06 150.16 39.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.027 0.441 . . . . 15.0 110.975 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 57.7 m95 -87.23 -6.86 58.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.701 -0.681 . . . . 15.0 109.728 177.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.08 165.02 13.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.514 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 52.7 mtpt -89.78 123.32 66.66 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.095 0.474 . . . . 15.0 111.626 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 18.7 Cg_endo -60.16 150.17 80.87 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.676 2.918 . . . . 15.0 112.474 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.9 -19.38 65.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.418 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.433 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.6 pm0 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 4.4 tp10 . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 109.338 -0.615 . . . . 15.0 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.695 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 92.7 m95 -107.32 115.04 29.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.286 -0.87 . . . . 15.0 109.799 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -105.41 142.54 34.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.693 -0.484 . . . . 15.0 109.693 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.483 ' OE2' HG22 ' A' ' 445' ' ' THR . 11.6 tm-20 -89.85 133.37 34.77 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.165 0.983 . . . . 15.0 109.756 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.7 125.78 36.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.701 -1.591 . . . . 15.0 109.128 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -103.58 144.23 31.7 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.965 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.8 p -89.67 150.92 22.13 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.769 -1.105 . . . . 15.0 109.022 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.98 -29.71 0.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.517 0.562 . . . . 15.0 112.517 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -9.42 59.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.08 0.4 . . . . 15.0 112.08 178.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 35.55 7.61 Favored Glycine 0 CA--C 1.516 0.143 0 CA-C-N 116.268 -0.424 . . . . 15.0 113.978 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -102.19 131.3 48.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.483 HG22 ' OE2' ' A' ' 437' ' ' GLU . 18.8 p -91.97 111.5 23.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.73 -177.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.2 p90 -115.3 122.78 46.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.552 0.691 . . . . 15.0 109.723 174.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 455' ' ' SER . 2.3 m-85 -90.06 118.76 29.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.14 -174.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -101.94 123.39 45.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.407 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.592 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 22.6 t-20 -106.04 130.49 53.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.016 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -84.29 1.45 44.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.709 0.633 . . . . 15.0 112.709 -172.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -81.28 -58.36 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.588 -0.523 . . . . 15.0 109.588 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 18.5 p -101.84 3.03 38.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.146 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 59.79 29.58 19.15 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.53 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -96.33 139.59 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.641 -0.709 . . . . 15.0 110.967 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.601 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.6 m -112.23 105.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.847 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -101.9 142.67 32.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.043 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -92.28 19.46 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 15.0 111.048 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 9.0 tp10 -149.61 163.53 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 34.1 mtmm -90.01 115.65 64.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.307 0.575 . . . . 15.0 112.396 -171.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 435' ' ' TRP . 24.4 Cg_exo -66.27 150.53 84.69 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.766 3.644 . . . . 15.0 112.138 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -51.1 -21.17 1.76 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.444 0.905 . . . . 15.0 113.444 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.695 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 121.288 0.566 . . . . 15.0 111.13 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.858 ' HG3' HH11 ' A' ' 451' ' ' ARG . 9.6 mm-40 . . . . . 0 C--O 1.236 0.375 0 CA-C-O 121.469 0.652 . . . . 15.0 109.473 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 77.5 m95 -95.92 116.49 29.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.698 -1.137 . . . . 15.0 110.114 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.0 m -104.08 145.45 30.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.184 -0.462 . . . . 15.0 109.893 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -99.0 135.27 40.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.748 0.785 . . . . 15.0 110.574 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -130.81 127.36 38.49 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.202 -1.363 . . . . 15.0 109.895 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -103.08 145.92 29.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.141 -0.481 . . . . 15.0 109.923 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.6 p -89.63 150.66 22.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.2 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.69 -30.32 0.91 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.704 0.631 . . . . 15.0 112.704 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.53 -7.79 59.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.833 0.349 . . . . 15.0 111.73 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.486 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.21 45.32 4.45 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 116.373 -0.376 . . . . 15.0 113.929 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 443' ' ' GLY . 0.7 OUTLIER -115.67 131.66 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.8 p -101.03 127.05 47.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.893 0.331 . . . . 15.0 111.893 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.427 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 46.9 p90 -120.9 140.32 51.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.68 127.91 42.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.112 0.482 . . . . 15.0 110.779 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -113.14 118.86 35.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.387 -0.824 . . . . 15.0 110.69 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.549 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 6.7 t-20 -90.04 117.9 29.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.854 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -73.53 -6.96 49.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.619 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.858 HH11 ' HG3' ' A' ' 434' ' ' GLU . 29.1 mtm-85 -83.87 -35.85 23.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.932 0.396 . . . . 15.0 110.942 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -120.1 -4.87 10.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.796 -174.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 15.3 m0 63.3 29.65 15.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.413 0.625 . . . . 15.0 109.821 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.95 138.54 31.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 15.0 110.318 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -127.23 119.4 26.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.0 t -136.63 150.12 48.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.922 0.392 . . . . 15.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.427 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 61.8 m95 -84.98 -0.32 53.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.264 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.74 158.55 15.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.848 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -89.79 123.62 65.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 15.0 110.966 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.11 145.81 89.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.501 2.8 . . . . 15.0 112.674 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.72 -17.68 63.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 15.0 112.536 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.512 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.8 pt-20 . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 121.325 0.583 . . . . 15.0 110.191 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.587 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 13.3 mt-10 . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 108.672 -0.862 . . . . 15.0 108.672 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.681 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 -94.95 105.17 17.07 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.302 -1.317 . . . . 15.0 108.318 169.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.438 ' HB ' ' CE2' ' A' ' 438' ' ' TYR . 1.8 m -90.1 137.92 31.95 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.99 129.17 36.35 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.804 0.811 . . . . 15.0 110.171 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.438 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 81.7 m-85 -129.95 123.45 30.71 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.146 -1.388 . . . . 15.0 110.243 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 440' ' ' THR . 31.7 ttpt -101.72 141.64 34.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.161 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 439' ' ' LYS . 49.3 p -89.47 150.45 22.48 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.33 -0.989 . . . . 15.0 108.33 173.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.03 -38.2 1.57 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.325 0.861 . . . . 15.0 113.325 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -79.02 -5.64 54.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.163 0.506 . . . . 15.0 111.506 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.08 58.57 1.67 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.893 -0.594 . . . . 15.0 113.659 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -123.3 117.35 25.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 170.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.0 p -95.98 118.38 32.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.681 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -115.17 144.5 43.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.39 -0.596 . . . . 15.0 109.39 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -101.12 123.4 45.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 15.0 109.92 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.4 t80 -115.34 117.14 29.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.131 -173.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 5.9 t-20 -89.9 120.61 31.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -74.75 -9.13 58.26 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.703 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.587 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 44.0 mtm-85 -80.21 -34.49 37.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 15.0 110.9 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.7 p -119.91 -7.71 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.422 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m0 62.82 29.85 16.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.608 0.718 . . . . 15.0 109.605 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 5.1 tp10 -89.88 139.99 30.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.691 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 m -121.91 125.14 45.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.849 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.6 t -142.65 150.1 39.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.69 0.281 . . . . 15.0 110.577 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -85.79 -7.01 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 15.0 110.509 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.88 160.71 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.236 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -89.66 125.28 61.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.314 0.578 . . . . 15.0 110.85 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.441 ' HG3' ' CB ' ' A' ' 435' ' ' TRP . 30.2 Cg_endo -63.1 150.14 89.47 Favored 'Trans proline' 0 C--N 1.335 -0.132 0 C-N-CA 123.83 3.02 . . . . 15.0 112.916 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -49.89 -28.4 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.166 -0.924 . . . . 15.0 112.45 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.4 pt-20 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 111.96 0.356 . . . . 15.0 111.96 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.473 ' OE1' ' HG3' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 107.445 -1.317 . . . . 15.0 107.445 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -96.5 145.98 25.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.888 -1.505 . . . . 15.0 109.364 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.1 m -143.83 141.65 30.46 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.759 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -106.36 139.6 40.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.431 0.634 . . . . 15.0 110.375 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -126.28 127.14 45.14 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.914 -1.039 . . . . 15.0 109.441 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -89.99 138.16 31.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.484 0.659 . . . . 15.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.4 p -89.43 150.84 22.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.771 -1.104 . . . . 15.0 108.717 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.13 -29.9 0.13 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.615 0.969 . . . . 15.0 113.615 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 6.5 p-10 -90.52 0.32 57.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 15.0 111.363 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.468 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 86.83 38.39 8.06 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.005 -0.543 . . . . 15.0 114.18 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 1.1 mmpp? -104.49 120.07 40.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 15.0 109.415 172.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.1 p -98.54 104.31 16.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.74 0.305 . . . . 15.0 111.376 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -94.94 138.44 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.759 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 58.5 m-85 -97.59 117.44 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.499 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 70.3 t80 -105.66 131.86 52.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.371 -173.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 18.4 t-20 -116.86 134.5 54.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.978 174.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -88.75 -15.45 34.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 15.0 111.552 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.473 ' HG3' ' OE1' ' A' ' 434' ' ' GLU . 19.6 mtm180 -69.42 -45.12 69.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 15.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.8 t -120.1 6.09 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 15.0 111.417 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m95 63.25 30.31 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.11 0.481 . . . . 15.0 111.007 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HB2' HG23 ' A' ' 452' ' ' THR . 8.7 tp10 -89.42 129.94 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.911 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.97 99.97 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.015 -0.735 . . . . 15.0 109.015 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.0 t -120.26 150.33 40.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 15.0 110.856 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -88.1 0.63 55.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 10.1 tp10 -95.57 134.15 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.613 177.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 63.0 tttp -92.09 109.55 38.25 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 15.0 110.659 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.4 Cg_exo -65.13 150.17 88.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.579 2.852 . . . . 15.0 112.689 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -68.07 -14.47 63.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.47 0.653 . . . . 15.0 110.118 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.033 177.286 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.692 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 120.996 0.427 . . . . 15.0 110.698 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.692 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 85.9 m95 -104.63 116.71 32.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.367 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.2 m -102.53 145.27 29.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.903 -0.589 . . . . 15.0 109.938 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.97 135.77 39.9 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.02 0.914 . . . . 15.0 110.874 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -132.85 126.19 31.68 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 113.66 -1.609 . . . . 15.0 108.393 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.51 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 3.1 ttmp? -113.59 146.4 39.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.408 0.623 . . . . 15.0 110.998 -173.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.5 p -89.76 150.65 22.19 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.089 -0.959 . . . . 15.0 108.935 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.48 -32.84 0.97 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.243 0.831 . . . . 15.0 113.243 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.26 -3.03 57.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.137 0.494 . . . . 15.0 111.255 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.01 42.88 5.83 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.628 -0.715 . . . . 15.0 113.828 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.879 ' HA ' ' HE2' ' A' ' 444' ' ' LYS . 7.8 mmpt? -107.06 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.477 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 47.2 p -99.16 113.33 25.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.334 -0.394 . . . . 15.0 111.777 -175.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.46 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.9 p90 -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 171.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -90.01 126.87 35.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.314 -174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -109.77 118.01 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.634 -0.712 . . . . 15.0 110.923 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.4 t-20 -91.33 121.82 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.977 -0.556 . . . . 15.0 109.886 177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -80.6 -6.01 57.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.955 0.354 . . . . 15.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.644 ' CZ ' ' HG3' ' A' ' 434' ' ' GLU . 24.5 mtm180 -75.49 -46.85 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.637 -0.425 . . . . 15.0 110.812 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.2 t -120.22 10.57 11.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.33 29.97 19.44 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.9 0.381 . . . . 15.0 111.682 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.16 135.12 33.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.323 0.582 . . . . 15.0 111.33 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -110.83 108.23 17.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.663 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.541 -0.3 . . . . 15.0 110.96 -173.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.46 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -90.98 -17.18 26.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.36 169.23 18.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.482 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 63.6 tttt -108.46 107.84 60.48 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.333 -0.547 . . . . 15.0 110.643 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.553 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 14.1 Cg_endo -56.25 145.1 79.03 Favored 'Trans proline' 0 N--CA 1.473 0.322 0 C-N-CA 123.957 3.104 . . . . 15.0 112.488 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.12 -28.59 69.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.053 0.39 . . . . 15.0 112.053 -176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.8 pm0 . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.658 0.266 . . . . 15.0 111.648 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.619 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.258 0.551 . . . . 15.0 109.599 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 87.4 m95 -108.85 106.51 16.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.1 -0.954 . . . . 15.0 109.653 174.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.4 m -90.15 140.6 29.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.489 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -102.56 133.95 46.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 15.0 111.393 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -136.85 125.15 23.23 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.503 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -101.96 142.05 33.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 15.0 110.275 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 60.3 p -89.73 150.63 22.22 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.03 -31.68 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.341 0.867 . . . . 15.0 113.341 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 9.6 p-10 -84.29 -0.47 52.53 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.275 0.56 . . . . 15.0 111.299 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 39.36 6.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.737 -0.665 . . . . 15.0 113.943 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.8 mmtm -106.57 120.76 42.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 p -98.45 107.04 19.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.577 0.227 . . . . 15.0 111.239 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.6 p90 -100.47 135.82 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.367 -0.605 . . . . 15.0 109.367 175.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -94.94 126.07 40.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.156 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 89.4 t80 -106.61 117.07 33.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.43 -176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 4.7 t-20 -89.84 116.31 27.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -70.71 -8.08 49.44 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.706 0.629 . . . . 15.0 111.188 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.619 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 24.0 mtm180 -83.98 -35.71 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.17 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.7 p -120.08 -6.48 9.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.499 -0.319 . . . . 15.0 111.564 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 38.2 m0 65.1 29.84 11.85 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.827 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 9.6 tp10 -90.67 143.73 26.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.534 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.0 m -126.3 106.21 9.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 15.0 110.213 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 13.4 t -125.09 150.24 47.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.976 0.417 . . . . 15.0 110.884 -177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 38.9 m95 -90.44 -1.14 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.129 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.446 ' HG2' ' OG1' ' A' ' 456' ' ' THR . 11.3 pt-20 -97.56 168.34 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.235 -0.283 . . . . 15.0 110.235 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 35.9 ttmt -90.1 122.79 67.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 15.0 111.417 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.7 Cg_endo -63.49 149.93 89.81 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.421 2.747 . . . . 15.0 112.526 172.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -27.83 68.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.608 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.415 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.7 pm0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.754 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.93 ' HG3' HH11 ' A' ' 451' ' ' ARG . 5.4 mm-40 . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.31 0.576 . . . . 15.0 109.74 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 71.3 m95 -95.82 116.71 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.915 -1.039 . . . . 15.0 109.756 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -103.02 145.53 29.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.574 -0.528 . . . . 15.0 109.574 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 438' ' ' TYR . 3.5 tt0 -89.99 142.23 27.9 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.878 0.847 . . . . 15.0 111.162 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.489 ' N ' ' HG2' ' A' ' 437' ' ' GLU . 80.8 m-85 -134.77 124.91 25.92 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.784 -1.553 . . . . 15.0 108.524 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -114.68 139.2 49.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.101 0.477 . . . . 15.0 110.467 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.9 p -89.58 150.95 22.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.283 -0.872 . . . . 15.0 109.505 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -37.95 -40.48 0.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.229 1.196 . . . . 15.0 114.229 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.61 4.44 28.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.354 0.597 . . . . 15.0 111.464 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.69 49.31 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.316 -0.856 . . . . 15.0 113.89 172.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -112.98 127.55 56.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.2 p -100.83 117.66 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.979 0.419 . . . . 15.0 111.694 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 43.8 p90 -110.62 127.59 55.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.737 -0.838 . . . . 15.0 108.737 172.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -98.08 126.85 43.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.813 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -107.76 118.19 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.18 -0.918 . . . . 15.0 111.315 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.1 t-20 -90.08 124.84 35.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.395 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -79.7 -3.36 47.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.568 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.93 HH11 ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -87.26 -50.24 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.137 0.494 . . . . 15.0 110.52 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 40.9 p -106.63 1.87 25.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.073 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.8 m0 61.84 28.15 17.21 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.616 -0.72 . . . . 15.0 110.611 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.43 126.49 36.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 15.0 111.051 -172.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.5 m -107.09 112.02 24.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.251 -0.431 . . . . 15.0 109.846 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -120.68 150.1 41.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 110.804 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.453 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.8 m95 -86.58 0.15 54.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.194 0.521 . . . . 15.0 110.35 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -90.69 155.6 18.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.153 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -89.92 114.07 59.42 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.425 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.96 146.38 80.22 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.888 3.058 . . . . 15.0 114.1 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -69.36 -19.71 63.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.119 -0.946 . . . . 15.0 112.135 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.485 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.288 0.566 . . . . 15.0 110.177 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.717 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 8.1 pt-20 . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 120.446 0.165 . . . . 15.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 97.4 m95 -128.37 107.75 10.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.019 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 142.56 33.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.024 -0.534 . . . . 15.0 109.995 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.11 136.96 38.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.394 0.616 . . . . 15.0 111.013 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.67 124.17 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.629 -1.169 . . . . 15.0 110.005 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.83 140.21 30.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.174 0.511 . . . . 15.0 110.637 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.3 p -89.65 151.0 22.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.012 . . . . 15.0 108.854 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -40.47 -35.03 0.4 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.22 -5.43 59.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.173 0.511 . . . . 15.0 111.247 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 45.43 4.5 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.698 -0.683 . . . . 15.0 113.551 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -109.75 119.45 39.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 p -92.7 105.09 17.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.702 0.287 . . . . 15.0 111.124 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -93.89 131.72 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.564 -0.532 . . . . 15.0 109.564 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -95.13 120.49 35.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.987 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -107.68 121.63 45.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.859 -171.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.717 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.6 t-20 -92.15 118.3 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -81.66 0.46 38.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.646 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 451' ' ' ARG . 24.5 mtm180 -87.76 -46.67 9.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.88 0.372 . . . . 15.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 453' ' ' TRP . 25.0 p -108.92 -4.31 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.317 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 11.2 m0 67.16 30.41 7.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.468 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.32 134.58 34.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.403 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 p -118.82 110.61 17.41 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.624 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -113.99 150.12 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 15.0 110.886 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -95.61 -5.71 41.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.194 0.521 . . . . 15.0 110.271 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.24 152.42 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.706 -0.85 . . . . 15.0 108.706 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -89.42 112.54 52.12 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -51.92 150.08 18.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.987 3.125 . . . . 15.0 113.311 -174.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -66.24 -22.6 66.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.799 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.675 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 121.198 0.523 . . . . 15.0 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 67.2 m95 -113.15 112.47 23.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.174 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -92.03 140.17 29.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.234 -0.654 . . . . 15.0 109.234 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -93.18 133.86 35.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.791 0.805 . . . . 15.0 111.128 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.61 124.39 23.93 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.945 -1.48 . . . . 15.0 108.773 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 26.7 ttmt -99.09 143.19 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.391 0.615 . . . . 15.0 111.069 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.0 p -89.64 150.78 22.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.105 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.84 -34.53 1.63 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.175 0.806 . . . . 15.0 113.175 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -78.77 -4.43 49.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.041 0.448 . . . . 15.0 111.397 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.96 37.48 7.24 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.945 -0.57 . . . . 15.0 113.283 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -109.59 125.22 52.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 173.437 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 36.2 p -92.34 107.47 19.24 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.234 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -93.34 126.62 38.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 459' ' ' LYS . 27.3 m-85 -90.42 123.92 34.53 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.217 0.532 . . . . 15.0 110.324 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.23 115.47 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.507 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.609 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.8 t-20 -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.362 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -78.53 -3.51 44.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.416 -0.811 . . . . 15.0 112.06 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 22.0 mtm180 -81.0 -63.31 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 15.0 110.081 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 29.3 p -104.66 7.63 34.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.242 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 13.2 m0 63.05 30.49 16.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.658 0.742 . . . . 15.0 110.472 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -89.85 127.71 36.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.893 -1.049 . . . . 15.0 110.519 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.29 117.52 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.795 0.331 . . . . 15.0 110.747 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.2 t -138.58 150.37 46.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.142 0.496 . . . . 15.0 110.842 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -80.3 -4.33 52.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.696 -0.684 . . . . 15.0 110.249 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD2' ' A' ' 447' ' ' TYR . 33.5 mt-10 -79.93 151.5 30.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' A' ' 447' ' ' TYR . 20.4 tptm -91.82 112.8 56.45 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.726 0.298 . . . . 15.0 110.405 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 37.1 Cg_endo -67.18 150.05 81.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.133 2.555 . . . . 15.0 112.466 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.12 -28.81 69.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 15.0 111.249 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.497 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 2.4 pm0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.559 ' HG3' ' HD3' ' A' ' 451' ' ' ARG . 9.5 mm-40 . . . . . 0 CA--C 1.513 -0.456 0 CA-C-O 121.407 0.622 . . . . 15.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.635 ' CD2' ' HG3' ' A' ' 460' ' ' PRO . 68.1 m95 -101.89 129.38 48.12 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.6 -176.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -129.39 142.37 50.82 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.194 -0.669 . . . . 15.0 109.194 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.73 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -106.49 137.87 43.69 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.588 0.708 . . . . 15.0 110.408 177.588 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -121.32 132.25 54.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.584 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -93.14 139.72 30.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.229 0.538 . . . . 15.0 110.73 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.8 p -89.6 150.8 22.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.101 -0.954 . . . . 15.0 108.453 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.6 -33.66 0.74 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.678 0.992 . . . . 15.0 113.678 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.34 -5.65 59.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.026 0.441 . . . . 15.0 111.363 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.71 59.72 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.754 -0.657 . . . . 15.0 113.765 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -126.12 124.82 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.301 -0.629 . . . . 15.0 109.301 172.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.7 p -101.96 104.04 14.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.593 0.235 . . . . 15.0 111.356 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -93.61 138.58 31.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.185 -0.672 . . . . 15.0 109.185 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.73 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 50.5 m-85 -98.18 120.87 39.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.331 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.93 130.35 55.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.723 -0.672 . . . . 15.0 111.408 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.545 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.0 t-20 -107.53 125.66 51.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.024 175.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -80.4 -7.62 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.516 -0.311 . . . . 15.0 111.451 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.559 ' HD3' ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -78.3 -48.49 15.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.335 . . . . 15.0 111.17 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 23.3 p -116.51 6.25 13.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.15 0.426 . . . . 15.0 112.15 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 31.0 m0 63.18 29.97 16.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.143 0.497 . . . . 15.0 110.014 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.61 136.2 33.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.816 -172.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.8 m -123.93 113.03 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -134.64 150.38 50.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.187 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -85.52 3.53 40.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 15.0 110.323 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.82 131.71 36.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -89.72 116.56 66.66 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 15.0 110.761 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 61.0 Cg_endo -70.27 150.23 64.8 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.692 2.928 . . . . 15.0 112.72 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -60.18 -26.48 66.36 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.508 0.558 . . . . 15.0 112.508 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.504 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 6.2 pt-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.113 0.483 . . . . 15.0 110.621 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.1 pt-20 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.086 0.47 . . . . 15.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 64.7 m95 -105.39 114.09 28.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 15.0 109.697 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.2 m -96.99 143.77 27.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.964 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -92.82 132.0 37.37 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.856 0.836 . . . . 15.0 111.208 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.17 124.48 26.09 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.62 -1.627 . . . . 15.0 109.21 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.481 ' HE3' ' CG2' ' A' ' 445' ' ' THR . 3.2 ttmp? -116.59 142.55 46.75 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.848 -174.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.65 150.51 22.33 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.564 -0.902 . . . . 15.0 108.564 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.15 -38.3 2.39 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.267 0.84 . . . . 15.0 113.267 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.6 p-10 -73.46 -7.77 53.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.018 0.437 . . . . 15.0 111.254 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.434 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.12 42.72 5.21 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.711 -0.677 . . . . 15.0 113.701 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.563 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 0.0 OUTLIER -101.67 119.26 38.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.273 -0.64 . . . . 15.0 109.273 170.301 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.481 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 9.0 p -96.28 112.93 24.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 15.0 111.455 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -111.08 125.05 53.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.351 0.596 . . . . 15.0 109.65 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -89.98 122.49 33.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.995 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -104.88 116.89 32.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.963 -173.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -90.19 118.65 29.88 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -74.88 -15.01 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.8 0.296 . . . . 15.0 111.8 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -79.31 -34.19 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.471 . . . . 15.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.9 p -111.97 -11.64 13.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.302 -176.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m95 64.35 25.16 13.4 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.547 0.689 . . . . 15.0 109.688 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.64 123.12 39.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.877 -1.056 . . . . 15.0 110.657 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -106.37 118.1 35.77 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.326 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.4 t -121.25 150.24 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.647 0.26 . . . . 15.0 110.698 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 81.9 m95 -89.59 -10.92 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.42 0.629 . . . . 15.0 109.986 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.22 156.56 20.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 15.0 109.413 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 99.2 mttt -89.76 121.41 69.05 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.036 0.446 . . . . 15.0 110.824 -176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_endo -57.09 150.17 58.32 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.501 2.8 . . . . 15.0 111.751 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -29.2 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 123.266 0.627 . . . . 15.0 112.196 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.884 0.373 . . . . 15.0 111.472 179.059 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.3 pm0 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.197 0.522 . . . . 15.0 110.208 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 78.5 m95 -104.79 128.9 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.45 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.9 m -117.77 144.88 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.21 138.16 31.87 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.754 0.787 . . . . 15.0 111.122 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -132.85 124.59 28.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.107 -1.406 . . . . 15.0 109.339 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -107.8 143.7 35.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.895 -0.593 . . . . 15.0 110.698 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.1 p -89.55 150.74 22.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.33 -35.25 5.19 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.791 0.663 . . . . 15.0 112.791 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 4.8 p-10 -80.72 -1.96 44.87 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.012 0.434 . . . . 15.0 111.219 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 84.92 51.52 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.671 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 42.5 mmtm -116.07 122.29 44.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 170.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.2 p -93.73 112.14 23.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.803 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -107.37 128.21 54.27 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 172.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -91.13 126.91 36.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.273 0.558 . . . . 15.0 110.831 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -105.85 117.5 34.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.629 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 23.1 t-20 -90.0 119.84 30.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.529 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -77.83 -8.3 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 15.0 112.073 -173.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.463 ' HG3' ' HB2' ' A' ' 434' ' ' GLU . 18.2 mtm180 -81.15 -43.08 19.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.712 -0.395 . . . . 15.0 110.557 -178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.419 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -119.89 7.23 10.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.414 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 17.5 m0 63.44 28.38 15.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.407 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.419 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.3 tp10 -92.04 132.89 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.918 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -115.0 116.05 27.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -136.49 150.17 48.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.084 0.468 . . . . 15.0 111.163 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -82.04 -3.34 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.82 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.87 149.07 32.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 15.0 109.843 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 75.8 tttt -89.83 124.7 63.09 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.471 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HB3' ' CD2' ' A' ' 435' ' ' TRP . 16.6 Cg_endo -59.03 149.31 80.51 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.51 2.807 . . . . 15.0 112.577 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -68.42 -18.25 64.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.644 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 15.0 110.681 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.626 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.3 pt-20 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.17 0.51 . . . . 15.0 109.922 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.626 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 80.5 m95 -111.53 122.12 46.99 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.306 173.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -102.87 138.63 39.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.706 -0.479 . . . . 15.0 109.706 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -96.56 136.8 36.57 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.72 0.772 . . . . 15.0 111.619 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -134.13 129.68 36.26 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.21 -1.359 . . . . 15.0 109.25 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 445' ' ' THR . 15.2 ttmm -109.06 140.88 42.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.271 0.558 . . . . 15.0 110.439 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.5 p -89.57 150.76 22.27 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.203 -0.908 . . . . 15.0 109.062 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.4 -34.75 1.36 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -84.84 5.09 30.16 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.284 0.564 . . . . 15.0 111.225 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.74 39.83 10.19 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.743 171.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -102.05 123.64 46.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -103.74 111.29 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.061 0.458 . . . . 15.0 111.795 -178.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.401 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 40.4 p90 -107.33 126.81 52.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.69 176.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.5 121.85 32.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.296 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -106.71 116.49 32.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.361 -0.836 . . . . 15.0 111.206 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -89.89 125.55 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.719 -0.474 . . . . 15.0 109.719 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -80.95 0.95 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 15.0 112.375 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 451' ' ' ARG . 29.8 mtm180 -91.08 -45.26 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 15.0 110.769 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -112.33 4.24 17.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 54.5 m0 60.49 29.41 18.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.266 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -89.48 125.86 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 15.0 111.051 -173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -108.23 117.81 35.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.336 -0.393 . . . . 15.0 109.97 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -122.53 150.09 43.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.495 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 75.3 m95 -91.57 -1.17 57.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.5 . . . . 15.0 110.458 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.96 159.4 14.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.755 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -89.97 122.54 67.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 15.0 111.234 -172.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.27 150.18 81.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 124.394 3.396 . . . . 15.0 113.734 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.1 -25.51 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.107 -0.951 . . . . 15.0 112.298 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.402 ' HG2' ' HG2' ' A' ' 434' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 15.0 111.339 -176.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.777 ' HG2' ' HD1' ' A' ' 435' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.543 -0.54 . . . . 15.0 109.543 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.777 ' HD1' ' HG2' ' A' ' 434' ' ' GLU . 80.2 m95 -121.74 104.97 9.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.633 174.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.1 m -91.94 132.33 36.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.125 -0.694 . . . . 15.0 109.125 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -105.9 134.64 48.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.515 0.674 . . . . 15.0 111.187 -174.091 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 92.3 m-85 -124.96 133.03 53.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.317 -0.856 . . . . 15.0 109.406 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -104.95 144.05 32.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 15.0 110.656 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.3 p -89.58 150.63 22.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.421 -0.809 . . . . 15.0 109.387 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.59 0.99 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.611 0.967 . . . . 15.0 113.611 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 5.3 p-10 -82.72 -4.81 58.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 15.0 111.001 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 43.86 4.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.811 -0.632 . . . . 15.0 113.883 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.2 mmtm -112.08 119.69 39.28 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.222 -0.658 . . . . 15.0 109.222 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -100.0 128.15 46.12 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.863 0.364 . . . . 15.0 111.031 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 48.9 p90 -115.04 137.46 51.98 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.471 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 35.8 m-85 -97.6 122.63 40.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.449 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -105.21 117.31 33.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.952 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.64 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 25.7 t-20 -89.96 121.96 32.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -81.7 4.37 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.863 -173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -94.69 -49.76 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 15.0 109.997 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -101.96 -2.04 30.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.909 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 62.58 27.63 16.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.483 -0.781 . . . . 15.0 110.516 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.49 140.08 31.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 15.0 111.11 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -107.97 113.45 26.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.075 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 30.4 m -122.78 136.86 55.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.275 -0.42 . . . . 15.0 110.618 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -83.45 -26.26 30.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.089 0.471 . . . . 15.0 110.912 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.64 150.81 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.981 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.3 ttpp -89.72 118.5 69.04 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.26 0.552 . . . . 15.0 111.579 -173.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 31.6 Cg_endo -62.77 150.65 87.46 Favored 'Trans proline' 0 N--CA 1.473 0.295 0 C-N-CA 124.399 3.399 . . . . 15.0 113.259 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -57.48 -31.14 65.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.976 -0.557 . . . . 15.0 112.064 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.7 pm0 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.833 0.349 . . . . 15.0 111.15 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.6 pt-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.156 0.503 . . . . 15.0 111.357 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.657 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 72.9 m95 -115.05 112.66 22.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.6 m -100.74 143.02 31.39 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.465 -0.569 . . . . 15.0 109.465 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -114.67 139.21 49.84 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.408 0.623 . . . . 15.0 111.399 -174.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.32 131.55 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.365 -0.834 . . . . 15.0 108.956 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 31.5 ttmt -90.67 141.67 28.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 15.0 110.588 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 p -89.61 150.74 22.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.522 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.19 -30.19 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.832 1.049 . . . . 15.0 113.832 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.54 3.39 47.66 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.303 0.573 . . . . 15.0 110.865 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.45 52.0 4.13 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.5 -0.773 . . . . 15.0 113.361 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -126.73 126.68 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.4 p -93.89 107.55 19.44 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.155 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -90.12 135.83 33.42 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.444 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 38.6 m-85 -99.47 122.51 42.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.661 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.1 t80 -110.31 118.85 37.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.159 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 3.3 t-20 -90.7 120.05 31.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.529 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -77.28 -7.52 56.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.803 0.298 . . . . 15.0 111.803 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 32.7 mtm180 -98.08 -17.1 19.29 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.836 -0.346 . . . . 15.0 111.761 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 35.3 p -119.99 -11.62 9.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.769 0.319 . . . . 15.0 110.414 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 63.49 30.15 15.27 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.927 0.87 . . . . 15.0 109.753 -178.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 7.5 tp10 -95.02 129.6 42.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.336 -1.302 . . . . 15.0 110.894 -176.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.44 110.22 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.737 -0.468 . . . . 15.0 109.737 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -125.08 150.15 47.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 15.0 110.927 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -88.99 -0.91 57.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.054 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.52 156.15 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.577 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -89.77 115.49 63.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 15.0 110.306 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.77 150.07 89.29 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.396 2.731 . . . . 15.0 111.526 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -68.8 -26.31 65.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 15.0 110.355 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.114 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.983 0.42 . . . . 15.0 111.191 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.511 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 71.7 m95 -105.87 119.74 39.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.74 -0.664 . . . . 15.0 110.657 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.5 m -107.35 135.8 48.23 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.823 -0.806 . . . . 15.0 108.823 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.6 OUTLIER -108.88 134.1 52.02 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.614 0.721 . . . . 15.0 110.82 -177.164 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.64 124.53 44.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.128 -0.942 . . . . 15.0 109.669 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -107.24 142.16 37.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.224 0.535 . . . . 15.0 110.259 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.8 p -89.45 150.68 22.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.312 -0.858 . . . . 15.0 108.809 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.45 -31.04 0.96 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.327 0.862 . . . . 15.0 113.327 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.09 -4.79 59.17 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.162 0.506 . . . . 15.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 43.68 4.97 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.715 -0.675 . . . . 15.0 113.946 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -99.69 110.58 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.359 -0.978 . . . . 15.0 108.359 166.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -107.88 125.24 51.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.905 0.383 . . . . 15.0 110.385 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.5 p90 -125.67 139.99 53.09 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.934 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.4 m-85 -98.41 122.44 41.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.627 -175.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -108.71 119.42 39.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.885 -173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.91 118.3 29.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 15.0 109.519 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -74.53 -8.52 56.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.635 0.605 . . . . 15.0 112.635 -171.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.508 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 24.0 mtm180 -77.2 -64.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.45 0.643 . . . . 15.0 109.94 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.0 p -102.4 6.65 40.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.25 -0.887 . . . . 15.0 111.964 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 26.1 m0 65.11 30.22 11.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.209 0.528 . . . . 15.0 110.658 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.67 123.4 33.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.459 -172.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.3 m -114.21 124.14 51.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.595 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.4 t -133.7 149.91 51.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.411 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 64.6 m95 -90.94 0.28 57.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.231 0.539 . . . . 15.0 110.305 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -98.09 148.55 23.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -89.69 113.49 57.03 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.536 -0.302 . . . . 15.0 110.247 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.14 142.25 86.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.077 2.518 . . . . 15.0 111.643 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -21.45 29.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 111.475 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.42 177.294 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.849 0.357 . . . . 15.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.58 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 75.2 m95 -126.26 111.22 14.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.736 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.2 m -99.0 139.43 34.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.443 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -101.06 137.81 38.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.431 0.634 . . . . 15.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -136.69 132.13 34.51 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.624 -1.171 . . . . 15.0 109.528 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -106.66 135.64 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.323 0.583 . . . . 15.0 111.179 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 39.3 p -89.69 150.88 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 15.0 109.023 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -36.19 0.23 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.931 1.086 . . . . 15.0 113.931 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.612 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.1 p-10 -82.88 -4.92 58.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.989 -0.444 . . . . 15.0 111.375 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 30.23 13.31 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.9 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.706 ' HE3' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -91.68 123.71 35.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.539 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 p -98.52 106.15 18.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.544 -0.298 . . . . 15.0 111.086 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.483 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.6 p90 -96.67 135.21 38.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -103.09 129.66 50.0 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.46 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -113.26 117.95 33.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.919 -175.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 18.0 t-20 -90.47 128.29 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.8 -4.9 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.711 -172.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.419 ' HD3' HH11 ' A' ' 451' ' ' ARG . 34.4 mtm-85 -86.88 -52.07 5.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.141 0.496 . . . . 15.0 110.508 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.6 p -99.72 -1.34 38.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.851 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 60.52 29.86 19.32 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.554 0.692 . . . . 15.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.08 125.55 38.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.021 -0.99 . . . . 15.0 110.695 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.7 p -111.41 112.77 24.75 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.014 -0.993 . . . . 15.0 110.045 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -126.31 150.26 48.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.135 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.483 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -85.94 -7.24 58.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 15.0 111.297 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.68 150.9 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.56 -0.533 . . . . 15.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -89.78 110.41 39.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.965 -0.383 . . . . 15.0 109.965 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.3 149.93 61.63 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.685 2.924 . . . . 15.0 113.04 -174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.32 -24.93 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 15.0 111.16 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.6 pm0 . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.757 0.313 . . . . 15.0 110.804 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.502 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 22.0 mm-40 . . . . . 0 C--O 1.237 0.408 0 CA-C-O 121.106 0.479 . . . . 15.0 111.262 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.408 ' HD1' ' CG ' ' A' ' 462' ' ' GLU . 76.3 m95 -110.38 122.49 47.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.734 -0.667 . . . . 15.0 110.356 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -104.42 143.6 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.74 128.95 53.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.652 0.739 . . . . 15.0 111.43 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.88 137.19 47.93 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.489 -1.232 . . . . 15.0 110.185 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -96.35 144.08 26.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.221 0.534 . . . . 15.0 110.918 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.3 p -89.72 150.92 22.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.143 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.78 -30.13 0.23 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.19 -3.68 55.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.171 0.51 . . . . 15.0 111.324 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 49.93 3.17 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.78 -0.645 . . . . 15.0 113.934 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -120.23 125.5 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.4 p -89.93 109.72 20.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.773 0.32 . . . . 15.0 111.404 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -96.42 132.33 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -98.29 118.93 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.135 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -107.6 121.41 44.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.033 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -89.93 116.31 27.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.848 -0.797 . . . . 15.0 108.848 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.77 -2.24 22.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.671 0.607 . . . . 15.0 111.533 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.502 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 30.0 mtm180 -86.08 -63.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 15.0 110.202 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -87.56 -3.79 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.149 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 61.9 30.0 18.01 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 115.613 -0.721 . . . . 15.0 110.021 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.12 146.0 23.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.051 -0.977 . . . . 15.0 110.589 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.2 t -124.39 112.07 16.5 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -130.46 150.4 51.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 15.0 111.144 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -83.46 -4.59 58.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.291 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.05 135.32 43.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.515 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 57.8 tttp -89.82 112.02 49.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.236 0.541 . . . . 15.0 110.062 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.8 Cg_exo -69.6 150.32 69.04 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.967 3.111 . . . . 15.0 112.752 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -61.73 -30.44 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.431 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.408 ' CG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.362 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.925 0 N-CA-C 112.581 -0.208 . . . . 15.0 112.581 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.27 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 15.0 110.364 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.1 t -87.87 29.39 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.441 0.639 . . . . 15.0 109.353 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.7 70.9 0.62 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.798 -1.092 . . . . 15.0 110.295 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 97.8 t 71.27 151.58 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 113.776 -1.556 . . . . 15.0 111.453 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.5 t 78.76 27.21 0.46 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.901 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 1.1 pm0 -82.66 -10.31 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.815 -1.084 . . . . 15.0 109.995 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 76.3 m95 -104.87 116.68 32.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.051 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.2 m -109.71 141.07 42.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.088 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.93 135.52 33.68 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.817 0.818 . . . . 15.0 110.935 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -129.3 124.16 33.65 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.927 -1.488 . . . . 15.0 109.239 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -106.76 142.22 36.74 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.712 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.5 p -89.9 150.57 22.13 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.342 -0.984 . . . . 15.0 108.342 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.69 2.04 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.829 0.677 . . . . 15.0 112.829 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.7 p-10 -81.35 -5.17 57.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.873 0.368 . . . . 15.0 111.417 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.4 44.81 5.17 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 116.049 -0.523 . . . . 15.0 113.678 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 49.1 mmtm -106.6 127.31 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.164 -0.68 . . . . 15.0 109.164 170.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 22.3 p -102.83 110.01 21.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.583 -0.28 . . . . 15.0 111.672 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.1 p90 -107.88 136.06 48.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 173.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -96.57 122.46 39.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.154 0.502 . . . . 15.0 110.891 -174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -96.57 122.42 39.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.489 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.5 t-20 -101.98 125.21 48.61 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.459 -0.792 . . . . 15.0 110.45 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.96 -1.24 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.965 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 19.5 mtm180 -83.7 -42.72 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.478 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.3 p -120.04 4.9 10.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.927 0.344 . . . . 15.0 111.927 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.6 m0 65.0 29.88 12.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.458 . . . . 15.0 110.495 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -89.57 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.824 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.6 m -124.57 98.75 5.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -124.04 150.2 45.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.864 0.364 . . . . 15.0 111.026 -173.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 69.8 m95 -81.12 -3.19 51.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.197 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -77.31 145.83 37.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.114 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 80.7 tttt -89.81 118.61 69.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.891 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 18.3 Cg_endo -59.81 150.08 79.55 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.653 2.902 . . . . 15.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 2.2 mp0 -73.98 -22.35 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.678 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 2.0 pm0 -80.57 -2.2 45.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.009 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.891 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 42.1 tp -138.28 8.95 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.041 0.448 . . . . 15.0 110.798 -176.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.598 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 21.7 ptmt . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.832 -0.604 . . . . 15.0 111.398 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.147 -0.381 . . . . 15.0 112.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -148.03 122.33 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.1 p -87.9 78.85 8.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.859 0.362 . . . . 15.0 110.615 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' ' 463' ' ' LEU . . . 68.36 114.93 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.365 -0.834 . . . . 15.0 110.45 -178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.407 HG12 ' HG3' ' A' ' 462' ' ' GLU . 7.1 p -81.84 46.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.645 1.212 . . . . 15.0 110.793 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.9 m 53.32 27.39 6.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.811 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.15 -50.42 2.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.179 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.623 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 86.1 m95 -89.77 118.49 29.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 15.0 110.645 -175.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 5.4 m -105.69 144.36 32.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.86 -0.609 . . . . 15.0 110.136 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -101.21 136.52 40.93 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.44 0.638 . . . . 15.0 110.679 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.6 m-85 -137.61 129.58 28.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.836 -1.074 . . . . 15.0 110.066 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -103.47 138.92 39.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 15.0 110.337 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.1 p -89.48 150.73 22.34 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.017 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.58 -30.03 1.37 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.447 0.906 . . . . 15.0 113.447 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -85.74 2.18 46.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.22 0.533 . . . . 15.0 110.94 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 77.97 62.17 2.4 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.564 -0.744 . . . . 15.0 113.403 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.479 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.5 mmtm -126.73 122.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 170.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 6.4 p -98.24 116.25 30.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 15.0 111.281 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -113.19 136.97 52.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.648 176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 455' ' ' SER . 71.0 m-85 -96.89 127.21 42.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 15.0 109.929 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 83.6 t80 -107.89 124.76 50.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 15.0 111.208 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.623 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 26.3 t-20 -105.16 135.06 47.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 15.0 110.325 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -93.44 -5.11 50.05 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.353 0.408 . . . . 15.0 111.58 -173.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -78.98 -51.17 9.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.324 0.583 . . . . 15.0 109.947 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.9 p -110.49 0.37 17.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.584 -0.734 . . . . 15.0 112.02 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 50.0 m0 64.35 30.02 13.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.492 0.663 . . . . 15.0 110.048 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.23 131.63 35.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.518 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 9.8 m -121.8 102.1 7.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.936 -0.574 . . . . 15.0 109.481 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -118.06 150.16 39.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.027 0.441 . . . . 15.0 110.975 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 57.7 m95 -87.23 -6.86 58.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.701 -0.681 . . . . 15.0 109.728 177.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.08 165.02 13.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.514 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 52.7 mtpt -89.78 123.32 66.66 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.095 0.474 . . . . 15.0 111.626 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.648 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 18.7 Cg_endo -60.16 150.17 80.87 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.676 2.918 . . . . 15.0 112.474 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.9 -19.38 65.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.418 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.433 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.6 pm0 -89.05 5.85 42.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.586 175.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.648 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 36.6 tp -113.2 8.87 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 173.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.247 0.943 0 CA-C-N 114.452 -1.249 . . . . 15.0 110.203 -174.008 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.859 -0.496 . . . . 15.0 111.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -139.25 93.28 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 15.0 110.668 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.6 m -82.66 73.54 9.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.061 0.458 . . . . 15.0 110.178 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.1 87.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.087 -0.96 . . . . 15.0 111.93 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.8 m -81.2 48.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.822 0.82 . . . . 15.0 110.674 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 57.0 m 56.67 26.68 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.303 -1.317 . . . . 15.0 111.403 -174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 4.4 tp10 -98.64 -62.71 1.2 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.695 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 92.7 m95 -107.32 115.04 29.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.286 -0.87 . . . . 15.0 109.799 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -105.41 142.54 34.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.693 -0.484 . . . . 15.0 109.693 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.483 ' OE2' HG22 ' A' ' 445' ' ' THR . 11.6 tm-20 -89.85 133.37 34.77 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.165 0.983 . . . . 15.0 109.756 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.7 125.78 36.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.701 -1.591 . . . . 15.0 109.128 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -103.58 144.23 31.7 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.965 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.8 p -89.67 150.92 22.13 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.769 -1.105 . . . . 15.0 109.022 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.98 -29.71 0.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.517 0.562 . . . . 15.0 112.517 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -9.42 59.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.08 0.4 . . . . 15.0 112.08 178.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 35.55 7.61 Favored Glycine 0 CA--C 1.516 0.143 0 CA-C-N 116.268 -0.424 . . . . 15.0 113.978 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -102.19 131.3 48.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.483 HG22 ' OE2' ' A' ' 437' ' ' GLU . 18.8 p -91.97 111.5 23.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.73 -177.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.2 p90 -115.3 122.78 46.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.552 0.691 . . . . 15.0 109.723 174.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 455' ' ' SER . 2.3 m-85 -90.06 118.76 29.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.14 -174.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -101.94 123.39 45.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.407 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.592 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 22.6 t-20 -106.04 130.49 53.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.016 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -84.29 1.45 44.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.709 0.633 . . . . 15.0 112.709 -172.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -81.28 -58.36 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.588 -0.523 . . . . 15.0 109.588 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 18.5 p -101.84 3.03 38.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.146 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 59.79 29.58 19.15 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.53 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -96.33 139.59 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.641 -0.709 . . . . 15.0 110.967 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.601 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.6 m -112.23 105.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.847 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -101.9 142.67 32.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.043 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -92.28 19.46 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 15.0 111.048 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 9.0 tp10 -149.61 163.53 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 34.1 mtmm -90.01 115.65 64.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.307 0.575 . . . . 15.0 112.396 -171.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 435' ' ' TRP . 24.4 Cg_exo -66.27 150.53 84.69 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.766 3.644 . . . . 15.0 112.138 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -51.1 -21.17 1.76 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.444 0.905 . . . . 15.0 113.444 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.695 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 0.4 OUTLIER -78.21 2.91 16.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.288 0.566 . . . . 15.0 111.13 178.281 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 459' ' ' LYS . 33.7 tp -114.15 6.1 16.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.023 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 48.1 tptt . . . . . 0 C--O 1.247 0.929 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.729 -179.25 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.288 -0.325 . . . . 15.0 112.288 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 68.27 80.22 0.2 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.644 0.735 . . . . 15.0 111.106 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.2 m -110.4 29.45 7.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.939 -1.028 . . . . 15.0 109.762 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 432' ' ' VAL . . . 62.46 78.72 0.28 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.131 -172.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 431' ' ' ALA . 3.0 m 55.25 174.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.172 1.389 . . . . 15.0 112.189 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.2 m 79.54 27.93 0.35 Allowed 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.177 -1.829 . . . . 15.0 110.263 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.858 ' HG3' HH11 ' A' ' 451' ' ' ARG . 9.6 mm-40 -90.6 -16.26 29.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.971 -1.013 . . . . 15.0 109.473 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 77.5 m95 -95.92 116.49 29.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.698 -1.137 . . . . 15.0 110.114 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.0 m -104.08 145.45 30.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.184 -0.462 . . . . 15.0 109.893 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -99.0 135.27 40.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.748 0.785 . . . . 15.0 110.574 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -130.81 127.36 38.49 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.202 -1.363 . . . . 15.0 109.895 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -103.08 145.92 29.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.141 -0.481 . . . . 15.0 109.923 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.6 p -89.63 150.66 22.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.2 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.69 -30.32 0.91 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.704 0.631 . . . . 15.0 112.704 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.53 -7.79 59.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.833 0.349 . . . . 15.0 111.73 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.486 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.21 45.32 4.45 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 116.373 -0.376 . . . . 15.0 113.929 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 443' ' ' GLY . 0.7 OUTLIER -115.67 131.66 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.8 p -101.03 127.05 47.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.893 0.331 . . . . 15.0 111.893 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.427 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 46.9 p90 -120.9 140.32 51.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.68 127.91 42.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.112 0.482 . . . . 15.0 110.779 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -113.14 118.86 35.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.387 -0.824 . . . . 15.0 110.69 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.549 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 6.7 t-20 -90.04 117.9 29.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.854 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -73.53 -6.96 49.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.619 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.858 HH11 ' HG3' ' A' ' 434' ' ' GLU . 29.1 mtm-85 -83.87 -35.85 23.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.932 0.396 . . . . 15.0 110.942 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -120.1 -4.87 10.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.796 -174.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 15.3 m0 63.3 29.65 15.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.413 0.625 . . . . 15.0 109.821 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.95 138.54 31.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 15.0 110.318 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -127.23 119.4 26.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.0 t -136.63 150.12 48.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.922 0.392 . . . . 15.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.427 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 61.8 m95 -84.98 -0.32 53.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.264 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.74 158.55 15.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.848 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 47.4 tttp -89.79 123.62 65.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 15.0 110.966 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.668 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -64.11 145.81 89.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.501 2.8 . . . . 15.0 112.674 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.72 -17.68 63.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 15.0 112.536 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.8 pt-20 -86.23 -1.88 57.87 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.325 0.583 . . . . 15.0 110.191 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.6 tp -130.28 15.08 5.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.508 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp . . . . . 0 C--O 1.253 1.28 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.414 -178.253 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.42 -0.672 . . . . 15.0 111.42 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -133.46 150.8 51.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.937 0.368 . . . . 15.0 110.922 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.0 m 69.4 -2.86 1.75 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 122.072 0.939 . . . . 15.0 111.455 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -155.6 97.47 1.86 Allowed 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.692 -1.14 . . . . 15.0 108.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 38.9 t -136.27 139.66 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 15.0 111.043 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.8 m 69.09 33.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 15.0 112.511 172.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.587 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 13.3 mt-10 -90.69 -11.4 39.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.672 -0.862 . . . . 15.0 108.672 170.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.681 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 -94.95 105.17 17.07 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.302 -1.317 . . . . 15.0 108.318 169.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.438 ' HB ' ' CE2' ' A' ' 438' ' ' TYR . 1.8 m -90.1 137.92 31.95 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.99 129.17 36.35 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.804 0.811 . . . . 15.0 110.171 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.438 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 81.7 m-85 -129.95 123.45 30.71 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.146 -1.388 . . . . 15.0 110.243 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 440' ' ' THR . 31.7 ttpt -101.72 141.64 34.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.161 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 439' ' ' LYS . 49.3 p -89.47 150.45 22.48 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.33 -0.989 . . . . 15.0 108.33 173.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.03 -38.2 1.57 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.325 0.861 . . . . 15.0 113.325 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -79.02 -5.64 54.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.163 0.506 . . . . 15.0 111.506 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.08 58.57 1.67 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.893 -0.594 . . . . 15.0 113.659 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -123.3 117.35 25.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 170.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.0 p -95.98 118.38 32.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.681 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -115.17 144.5 43.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.39 -0.596 . . . . 15.0 109.39 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -101.12 123.4 45.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 15.0 109.92 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.4 t80 -115.34 117.14 29.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.131 -173.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 5.9 t-20 -89.9 120.61 31.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -74.75 -9.13 58.26 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.703 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.587 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 44.0 mtm-85 -80.21 -34.49 37.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 15.0 110.9 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.7 p -119.91 -7.71 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.422 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m0 62.82 29.85 16.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.608 0.718 . . . . 15.0 109.605 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 5.1 tp10 -89.88 139.99 30.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.691 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 m -121.91 125.14 45.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.849 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.6 t -142.65 150.1 39.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.69 0.281 . . . . 15.0 110.577 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -85.79 -7.01 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 15.0 110.509 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.88 160.71 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.236 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -89.66 125.28 61.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.314 0.578 . . . . 15.0 110.85 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.441 ' HG3' ' CB ' ' A' ' 435' ' ' TRP . 30.2 Cg_endo -63.1 150.14 89.47 Favored 'Trans proline' 0 C--N 1.335 -0.132 0 C-N-CA 123.83 3.02 . . . . 15.0 112.916 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -49.89 -28.4 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.166 -0.924 . . . . 15.0 112.45 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.4 pt-20 -90.48 -0.38 57.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.96 0.356 . . . . 15.0 111.96 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.412 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 32.8 tp -121.94 4.67 9.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 15.0 110.668 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.417 ' OXT' ' HG3' ' A' ' 464' ' ' LYS . 6.8 ptmm? . . . . . 0 C--O 1.244 0.773 0 CA-C-O 117.971 -1.014 . . . . 15.0 110.718 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.768 -0.533 . . . . 15.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -120.47 121.1 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.127 -0.324 . . . . 15.0 110.127 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.6 p -134.6 0.89 3.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.289 0.566 . . . . 15.0 111.55 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.704 ' HB3' HH11 ' A' ' 451' ' ' ARG . . . -158.99 81.48 0.78 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.013 176.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 433' ' ' SER . 86.8 t -85.81 133.51 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.537 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.194 -175.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 75.2 m 80.96 22.43 0.36 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 113.031 -1.895 . . . . 15.0 110.191 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 431' ' ' ALA . 0.4 OUTLIER -83.22 -28.06 29.51 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.681 -1.599 . . . . 15.0 107.445 171.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.685 ' HB3' HD22 ' A' ' 463' ' ' LEU . 41.2 m95 -96.5 145.98 25.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.888 -1.505 . . . . 15.0 109.364 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.1 m -143.83 141.65 30.46 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.759 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -106.36 139.6 40.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.431 0.634 . . . . 15.0 110.375 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -126.28 127.14 45.14 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.914 -1.039 . . . . 15.0 109.441 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -89.99 138.16 31.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.484 0.659 . . . . 15.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.4 p -89.43 150.84 22.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.771 -1.104 . . . . 15.0 108.717 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.13 -29.9 0.13 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.615 0.969 . . . . 15.0 113.615 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 6.5 p-10 -90.52 0.32 57.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 15.0 111.363 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.468 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 86.83 38.39 8.06 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.005 -0.543 . . . . 15.0 114.18 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 1.1 mmpp? -104.49 120.07 40.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 15.0 109.415 172.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.1 p -98.54 104.31 16.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.74 0.305 . . . . 15.0 111.376 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -94.94 138.44 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.759 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 58.5 m-85 -97.59 117.44 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.499 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 70.3 t80 -105.66 131.86 52.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.371 -173.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 18.4 t-20 -116.86 134.5 54.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.978 174.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -88.75 -15.45 34.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 15.0 111.552 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.704 HH11 ' HB3' ' A' ' 431' ' ' ALA . 19.6 mtm180 -69.42 -45.12 69.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 15.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.8 t -120.1 6.09 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 15.0 111.417 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m95 63.25 30.31 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.11 0.481 . . . . 15.0 111.007 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HB2' HG23 ' A' ' 452' ' ' THR . 8.7 tp10 -89.42 129.94 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.911 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.97 99.97 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.015 -0.735 . . . . 15.0 109.015 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.0 t -120.26 150.33 40.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 15.0 110.856 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -88.1 0.63 55.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 10.1 tp10 -95.57 134.15 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.613 177.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 63.0 tttp -92.09 109.55 38.25 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 15.0 110.659 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.4 Cg_exo -65.13 150.17 88.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.579 2.852 . . . . 15.0 112.689 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.434 ' OE1' ' HD3' ' A' ' 464' ' ' LYS . 4.8 tp-100 -68.07 -14.47 63.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.47 0.653 . . . . 15.0 110.118 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.406 ' HG3' HG22 ' A' ' 432' ' ' VAL . 41.0 tt0 -89.1 2.26 54.37 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.033 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 435' ' ' TRP . 42.1 tp -130.5 23.06 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.318 -0.856 . . . . 15.0 110.427 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.434 ' HD3' ' OE1' ' A' ' 461' ' ' GLN . 52.9 pttt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.261 -0.876 . . . . 15.0 110.885 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.11 -0.396 . . . . 15.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.93 97.43 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.975 0.417 . . . . 15.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.1 m -84.24 116.1 22.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.318 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.97 84.66 0.14 Allowed 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.926 0.766 . . . . 15.0 111.019 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.855 HG12 ' H ' ' A' ' 433' ' ' SER . 3.4 t -82.08 -177.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 -178.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.855 ' H ' HG12 ' A' ' 432' ' ' VAL . 36.3 m 66.52 24.94 10.18 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.711 -1.131 . . . . 15.0 108.719 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.692 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.5 OUTLIER -91.11 -21.59 21.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.824 -1.535 . . . . 15.0 110.698 -175.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.692 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 85.9 m95 -104.63 116.71 32.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.367 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.2 m -102.53 145.27 29.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.903 -0.589 . . . . 15.0 109.938 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.97 135.77 39.9 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.02 0.914 . . . . 15.0 110.874 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -132.85 126.19 31.68 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 113.66 -1.609 . . . . 15.0 108.393 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.51 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 3.1 ttmp? -113.59 146.4 39.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.408 0.623 . . . . 15.0 110.998 -173.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.5 p -89.76 150.65 22.19 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.089 -0.959 . . . . 15.0 108.935 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.48 -32.84 0.97 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.243 0.831 . . . . 15.0 113.243 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.26 -3.03 57.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.137 0.494 . . . . 15.0 111.255 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.01 42.88 5.83 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.628 -0.715 . . . . 15.0 113.828 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.879 ' HA ' ' HE2' ' A' ' 444' ' ' LYS . 7.8 mmpt? -107.06 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.477 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 47.2 p -99.16 113.33 25.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.334 -0.394 . . . . 15.0 111.777 -175.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.46 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.9 p90 -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 171.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -90.01 126.87 35.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.314 -174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -109.77 118.01 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.634 -0.712 . . . . 15.0 110.923 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.4 t-20 -91.33 121.82 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.977 -0.556 . . . . 15.0 109.886 177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -80.6 -6.01 57.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.955 0.354 . . . . 15.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.644 ' CZ ' ' HG3' ' A' ' 434' ' ' GLU . 24.5 mtm180 -75.49 -46.85 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.637 -0.425 . . . . 15.0 110.812 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.2 t -120.22 10.57 11.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.33 29.97 19.44 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.9 0.381 . . . . 15.0 111.682 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.16 135.12 33.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.323 0.582 . . . . 15.0 111.33 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -110.83 108.23 17.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.663 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.541 -0.3 . . . . 15.0 110.96 -173.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.46 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -90.98 -17.18 26.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.36 169.23 18.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.6 tttt -108.46 107.84 60.48 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.333 -0.547 . . . . 15.0 110.643 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.553 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 14.1 Cg_endo -56.25 145.1 79.03 Favored 'Trans proline' 0 N--CA 1.473 0.322 0 C-N-CA 123.957 3.104 . . . . 15.0 112.488 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.12 -28.59 69.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.053 0.39 . . . . 15.0 112.053 -176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.8 pm0 -67.96 -18.72 64.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.658 0.266 . . . . 15.0 111.648 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.561 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 37.9 tp -129.54 1.22 5.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.902 0.382 . . . . 15.0 111.174 -175.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.458 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 15.9 ttpp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.701 -0.666 . . . . 15.0 110.632 -174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 112.131 -0.387 . . . . 15.0 112.131 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.63 86.76 3.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.32 0.581 . . . . 15.0 110.765 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 37.8 p -91.09 -14.03 32.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.193 0.996 . . . . 15.0 109.966 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . 179.38 107.75 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 112.713 -2.04 . . . . 15.0 108.612 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 92.7 t 78.06 139.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 123.74 0.65 . . . . 15.0 110.804 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 33.9 t 78.31 22.15 0.78 Allowed 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.815 -1.084 . . . . 15.0 109.868 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.619 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -89.36 -18.49 26.76 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.415 -1.266 . . . . 15.0 109.599 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 87.4 m95 -108.85 106.51 16.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.1 -0.954 . . . . 15.0 109.653 174.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.4 m -90.15 140.6 29.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.489 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -102.56 133.95 46.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 15.0 111.393 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -136.85 125.15 23.23 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.503 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -101.96 142.05 33.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 15.0 110.275 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 60.3 p -89.73 150.63 22.22 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.03 -31.68 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.341 0.867 . . . . 15.0 113.341 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 9.6 p-10 -84.29 -0.47 52.53 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.275 0.56 . . . . 15.0 111.299 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 39.36 6.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.737 -0.665 . . . . 15.0 113.943 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.8 mmtm -106.57 120.76 42.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 p -98.45 107.04 19.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.577 0.227 . . . . 15.0 111.239 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.6 p90 -100.47 135.82 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.367 -0.605 . . . . 15.0 109.367 175.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -94.94 126.07 40.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.156 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 89.4 t80 -106.61 117.07 33.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.43 -176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 4.7 t-20 -89.84 116.31 27.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -70.71 -8.08 49.44 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.706 0.629 . . . . 15.0 111.188 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.619 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 24.0 mtm180 -83.98 -35.71 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.17 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.7 p -120.08 -6.48 9.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.499 -0.319 . . . . 15.0 111.564 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 38.2 m0 65.1 29.84 11.85 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.827 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 9.6 tp10 -90.67 143.73 26.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.534 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.0 m -126.3 106.21 9.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 15.0 110.213 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 13.4 t -125.09 150.24 47.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.976 0.417 . . . . 15.0 110.884 -177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 38.9 m95 -90.44 -1.14 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.129 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.446 ' HG2' ' OG1' ' A' ' 456' ' ' THR . 11.3 pt-20 -97.56 168.34 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.235 -0.283 . . . . 15.0 110.235 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.799 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 35.9 ttmt -90.1 122.79 67.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 15.0 111.417 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.512 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 17.7 Cg_endo -63.49 149.93 89.81 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.421 2.747 . . . . 15.0 112.526 172.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -27.83 68.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.608 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.415 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.7 pm0 -79.31 -6.74 57.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.754 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.512 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -121.22 19.72 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.92 0.39 . . . . 15.0 110.383 -177.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.799 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.907 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.736 -0.546 . . . . 15.0 111.736 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -140.08 86.97 2.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.218 0.532 . . . . 15.0 110.639 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 17.2 p -101.69 -3.11 28.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.384 0.611 . . . . 15.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 178.91 103.98 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.419 -1.264 . . . . 15.0 109.445 -177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.95 148.65 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 15.0 110.366 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 65.1 p 60.66 29.86 19.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.457 1.103 . . . . 15.0 112.581 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.93 ' HG3' HH11 ' A' ' 451' ' ' ARG . 5.4 mm-40 -84.84 -13.63 50.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.74 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 71.3 m95 -95.82 116.71 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.915 -1.039 . . . . 15.0 109.756 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -103.02 145.53 29.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.574 -0.528 . . . . 15.0 109.574 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 438' ' ' TYR . 3.5 tt0 -89.99 142.23 27.9 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.878 0.847 . . . . 15.0 111.162 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.489 ' N ' ' HG2' ' A' ' 437' ' ' GLU . 80.8 m-85 -134.77 124.91 25.92 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.784 -1.553 . . . . 15.0 108.524 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -114.68 139.2 49.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.101 0.477 . . . . 15.0 110.467 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.9 p -89.58 150.95 22.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.283 -0.872 . . . . 15.0 109.505 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -37.95 -40.48 0.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.229 1.196 . . . . 15.0 114.229 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.61 4.44 28.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.354 0.597 . . . . 15.0 111.464 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.69 49.31 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.316 -0.856 . . . . 15.0 113.89 172.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -112.98 127.55 56.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.2 p -100.83 117.66 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.979 0.419 . . . . 15.0 111.694 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 43.8 p90 -110.62 127.59 55.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.737 -0.838 . . . . 15.0 108.737 172.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -98.08 126.85 43.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.813 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -107.76 118.19 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.18 -0.918 . . . . 15.0 111.315 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.1 t-20 -90.08 124.84 35.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.395 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -79.7 -3.36 47.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.568 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.93 HH11 ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -87.26 -50.24 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.137 0.494 . . . . 15.0 110.52 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 40.9 p -106.63 1.87 25.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.073 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.8 m0 61.84 28.15 17.21 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.616 -0.72 . . . . 15.0 110.611 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.43 126.49 36.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 15.0 111.051 -172.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.5 m -107.09 112.02 24.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.251 -0.431 . . . . 15.0 109.846 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -120.68 150.1 41.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 110.804 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.453 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.8 m95 -86.58 0.15 54.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.194 0.521 . . . . 15.0 110.35 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -90.69 155.6 18.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.153 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -89.92 114.07 59.42 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.425 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 13.1 Cg_endo -56.96 146.38 80.22 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.888 3.058 . . . . 15.0 114.1 -175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 14.1 mm100 -69.36 -19.71 63.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.119 -0.946 . . . . 15.0 112.135 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.485 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 13.0 pt-20 -93.25 1.84 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.288 0.566 . . . . 15.0 110.177 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.504 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 40.4 tp -108.29 10.11 27.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.736 . . . . 15.0 109.751 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.692 -0.671 . . . . 15.0 110.09 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.823 -0.511 . . . . 15.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.44 125.23 5.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 15.0 110.93 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 10.9 t -101.19 6.54 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.469 0.652 . . . . 15.0 109.311 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.661 ' HB2' HD13 ' A' ' 463' ' ' LEU . . . -158.95 118.04 3.01 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.453 -1.314 . . . . 15.0 107.453 -178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.39 53.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 123.598 0.561 . . . . 15.0 111.839 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.6 m 49.47 26.0 1.54 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.039 -0.982 . . . . 15.0 112.332 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.717 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 8.1 pt-20 -111.31 -23.59 10.72 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.284 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 97.4 m95 -128.37 107.75 10.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.019 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 142.56 33.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.024 -0.534 . . . . 15.0 109.995 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.11 136.96 38.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.394 0.616 . . . . 15.0 111.013 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.67 124.17 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.629 -1.169 . . . . 15.0 110.005 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.83 140.21 30.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.174 0.511 . . . . 15.0 110.637 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.3 p -89.65 151.0 22.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.012 . . . . 15.0 108.854 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -40.47 -35.03 0.4 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.22 -5.43 59.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.173 0.511 . . . . 15.0 111.247 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 45.43 4.5 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.698 -0.683 . . . . 15.0 113.551 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -109.75 119.45 39.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 p -92.7 105.09 17.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.702 0.287 . . . . 15.0 111.124 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -93.89 131.72 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.564 -0.532 . . . . 15.0 109.564 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -95.13 120.49 35.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.987 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -107.68 121.63 45.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.859 -171.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.717 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.6 t-20 -92.15 118.3 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -81.66 0.46 38.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.646 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 451' ' ' ARG . 24.5 mtm180 -87.76 -46.67 9.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.88 0.372 . . . . 15.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 453' ' ' TRP . 25.0 p -108.92 -4.31 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.317 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 11.2 m0 67.16 30.41 7.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.468 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.32 134.58 34.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.403 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 p -118.82 110.61 17.41 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.624 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -113.99 150.12 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 15.0 110.886 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -95.61 -5.71 41.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.194 0.521 . . . . 15.0 110.271 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.24 152.42 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.706 -0.85 . . . . 15.0 108.706 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -89.42 112.54 52.12 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 74.8 Cg_exo -51.92 150.08 18.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.987 3.125 . . . . 15.0 113.311 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -66.24 -22.6 66.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.799 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -78.37 -1.06 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.675 174.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 431' ' ' ALA . 56.0 tp -136.28 6.53 3.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.923 -175.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 63.1 mttm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.193 -0.908 . . . . 15.0 110.895 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.812 -0.515 . . . . 15.0 111.812 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -121.48 149.61 42.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.143 -0.317 . . . . 15.0 110.143 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.1 m 74.24 -0.1 3.45 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.748 0.785 . . . . 15.0 110.295 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -179.56 122.03 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.524 -1.216 . . . . 15.0 108.772 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.84 147.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 121.049 -0.26 . . . . 15.0 110.741 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.4 t 66.48 22.87 10.59 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.724 0.773 . . . . 15.0 111.214 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 -21.48 33.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.613 -1.176 . . . . 15.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 67.2 m95 -113.15 112.47 23.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.174 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -92.03 140.17 29.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.234 -0.654 . . . . 15.0 109.234 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -93.18 133.86 35.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.791 0.805 . . . . 15.0 111.128 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.61 124.39 23.93 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.945 -1.48 . . . . 15.0 108.773 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 26.7 ttmt -99.09 143.19 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.391 0.615 . . . . 15.0 111.069 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.0 p -89.64 150.78 22.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.105 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.84 -34.53 1.63 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.175 0.806 . . . . 15.0 113.175 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -78.77 -4.43 49.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.041 0.448 . . . . 15.0 111.397 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.96 37.48 7.24 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.945 -0.57 . . . . 15.0 113.283 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -109.59 125.22 52.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 173.437 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 36.2 p -92.34 107.47 19.24 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.234 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -93.34 126.62 38.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 459' ' ' LYS . 27.3 m-85 -90.42 123.92 34.53 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.217 0.532 . . . . 15.0 110.324 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.23 115.47 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.507 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.609 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.8 t-20 -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.362 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -78.53 -3.51 44.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.416 -0.811 . . . . 15.0 112.06 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 22.0 mtm180 -81.0 -63.31 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 15.0 110.081 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 29.3 p -104.66 7.63 34.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.242 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 13.2 m0 63.05 30.49 16.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.658 0.742 . . . . 15.0 110.472 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -89.85 127.71 36.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.893 -1.049 . . . . 15.0 110.519 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.29 117.52 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.795 0.331 . . . . 15.0 110.747 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.2 t -138.58 150.37 46.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.142 0.496 . . . . 15.0 110.842 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -80.3 -4.33 52.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.696 -0.684 . . . . 15.0 110.249 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD2' ' A' ' 447' ' ' TYR . 33.5 mt-10 -79.93 151.5 30.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 20.4 tptm -91.82 112.8 56.45 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.726 0.298 . . . . 15.0 110.405 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.572 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 37.1 Cg_endo -67.18 150.05 81.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.133 2.555 . . . . 15.0 112.466 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.12 -28.81 69.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 15.0 111.249 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.513 ' HA ' ' HA3' ' A' ' 428' ' ' GLY . 2.4 pm0 -77.42 -4.51 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.695 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.572 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 23.6 tp -129.5 4.66 5.12 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.283 -0.865 . . . . 15.0 110.587 -176.467 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.053 -0.419 . . . . 15.0 112.053 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -146.1 105.77 3.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.688 0.28 . . . . 15.0 110.689 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.7 p -86.66 5.18 37.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.478 0.656 . . . . 15.0 110.615 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -171.07 123.52 0.6 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 433' ' ' SER . 40.0 t -114.14 135.2 54.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.817 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 49.9 m 80.41 26.65 0.29 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.431 1.082 . . . . 15.0 110.761 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.559 ' HG3' ' HD3' ' A' ' 451' ' ' ARG . 9.5 mm-40 -88.4 -25.1 22.85 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.688 -1.142 . . . . 15.0 110.874 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.635 ' CD2' ' HG3' ' A' ' 460' ' ' PRO . 68.1 m95 -101.89 129.38 48.12 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.6 -176.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -129.39 142.37 50.82 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.194 -0.669 . . . . 15.0 109.194 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.73 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -106.49 137.87 43.69 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.588 0.708 . . . . 15.0 110.408 177.588 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -121.32 132.25 54.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.584 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -93.14 139.72 30.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.229 0.538 . . . . 15.0 110.73 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.8 p -89.6 150.8 22.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.101 -0.954 . . . . 15.0 108.453 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.6 -33.66 0.74 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.678 0.992 . . . . 15.0 113.678 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.34 -5.65 59.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.026 0.441 . . . . 15.0 111.363 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.71 59.72 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.754 -0.657 . . . . 15.0 113.765 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -126.12 124.82 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.301 -0.629 . . . . 15.0 109.301 172.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.7 p -101.96 104.04 14.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.593 0.235 . . . . 15.0 111.356 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -93.61 138.58 31.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.185 -0.672 . . . . 15.0 109.185 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.73 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 50.5 m-85 -98.18 120.87 39.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.331 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.93 130.35 55.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.723 -0.672 . . . . 15.0 111.408 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.545 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.0 t-20 -107.53 125.66 51.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.024 175.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -80.4 -7.62 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.516 -0.311 . . . . 15.0 111.451 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.559 ' HD3' ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -78.3 -48.49 15.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.335 . . . . 15.0 111.17 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 23.3 p -116.51 6.25 13.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.15 0.426 . . . . 15.0 112.15 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 31.0 m0 63.18 29.97 16.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.143 0.497 . . . . 15.0 110.014 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.61 136.2 33.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.816 -172.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.8 m -123.93 113.03 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -134.64 150.38 50.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.187 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -85.52 3.53 40.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 15.0 110.323 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.82 131.71 36.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -89.72 116.56 66.66 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 15.0 110.761 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 61.0 Cg_endo -70.27 150.23 64.8 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.692 2.928 . . . . 15.0 112.72 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -60.18 -26.48 66.36 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.508 0.558 . . . . 15.0 112.508 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.504 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 6.2 pt-20 -76.56 -11.36 59.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.113 0.483 . . . . 15.0 110.621 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 435' ' ' TRP . 38.0 tp -115.92 14.96 16.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 15.0 109.927 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 57.1 mtpt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.378 -0.82 . . . . 15.0 110.252 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.028 -0.429 . . . . 15.0 112.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 69.9 144.14 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.501 0.72 . . . . 15.0 111.28 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.4 m 71.01 2.29 4.17 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.006 0.908 . . . . 15.0 109.961 -175.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -162.96 113.71 1.44 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.643 -1.162 . . . . 15.0 109.363 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.24 143.2 22.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 15.0 109.294 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.624 ' HA ' ' OE1' ' A' ' 462' ' ' GLU . 50.5 m 62.25 31.86 17.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.382 0.611 . . . . 15.0 109.849 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.1 pt-20 -77.86 -9.77 59.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.544 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 64.7 m95 -105.39 114.09 28.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 15.0 109.697 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.2 m -96.99 143.77 27.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.964 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -92.82 132.0 37.37 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.856 0.836 . . . . 15.0 111.208 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.17 124.48 26.09 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.62 -1.627 . . . . 15.0 109.21 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.481 ' HE3' ' CG2' ' A' ' 445' ' ' THR . 3.2 ttmp? -116.59 142.55 46.75 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.848 -174.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.65 150.51 22.33 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.564 -0.902 . . . . 15.0 108.564 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.15 -38.3 2.39 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.267 0.84 . . . . 15.0 113.267 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.6 p-10 -73.46 -7.77 53.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.018 0.437 . . . . 15.0 111.254 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.434 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.12 42.72 5.21 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.711 -0.677 . . . . 15.0 113.701 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.563 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 0.0 OUTLIER -101.67 119.26 38.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.273 -0.64 . . . . 15.0 109.273 170.301 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.481 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 9.0 p -96.28 112.93 24.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 15.0 111.455 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -111.08 125.05 53.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.351 0.596 . . . . 15.0 109.65 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -89.98 122.49 33.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.995 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -104.88 116.89 32.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.963 -173.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -90.19 118.65 29.88 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -74.88 -15.01 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.8 0.296 . . . . 15.0 111.8 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -79.31 -34.19 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.471 . . . . 15.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.9 p -111.97 -11.64 13.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.302 -176.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m95 64.35 25.16 13.4 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.547 0.689 . . . . 15.0 109.688 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.64 123.12 39.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.877 -1.056 . . . . 15.0 110.657 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -106.37 118.1 35.77 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.326 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.4 t -121.25 150.24 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.647 0.26 . . . . 15.0 110.698 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 81.9 m95 -89.59 -10.92 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.42 0.629 . . . . 15.0 109.986 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.22 156.56 20.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 15.0 109.413 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 99.2 mttt -89.76 121.41 69.05 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.036 0.446 . . . . 15.0 110.824 -176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_endo -57.09 150.17 58.32 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.501 2.8 . . . . 15.0 111.751 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -51.62 -29.2 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 123.266 0.627 . . . . 15.0 112.196 -178.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.624 ' OE1' ' HA ' ' A' ' 433' ' ' SER . 5.8 pt-20 -69.91 -8.47 49.02 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.884 0.373 . . . . 15.0 111.472 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.3 tp -133.39 8.63 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.509 0.671 . . . . 15.0 109.236 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.595 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.59 -0.732 . . . . 15.0 109.688 -174.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.05 -0.42 . . . . 15.0 112.05 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -102.68 136.36 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.064 -0.347 . . . . 15.0 110.064 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.6 m -107.15 -2.93 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.738 0.78 . . . . 15.0 110.957 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -164.4 69.71 0.18 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.747 -1.115 . . . . 15.0 109.897 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 433' ' ' SER . 73.0 t -42.85 128.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 113.357 -1.747 . . . . 15.0 111.623 -176.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 37.5 t 89.67 28.71 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 112.386 -2.188 . . . . 15.0 109.356 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.3 pm0 -76.37 -14.33 60.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.063 -0.971 . . . . 15.0 110.208 176.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 78.5 m95 -104.79 128.9 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.45 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.9 m -117.77 144.88 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.21 138.16 31.87 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.754 0.787 . . . . 15.0 111.122 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -132.85 124.59 28.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.107 -1.406 . . . . 15.0 109.339 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -107.8 143.7 35.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.895 -0.593 . . . . 15.0 110.698 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.1 p -89.55 150.74 22.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.33 -35.25 5.19 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.791 0.663 . . . . 15.0 112.791 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 4.8 p-10 -80.72 -1.96 44.87 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.012 0.434 . . . . 15.0 111.219 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 84.92 51.52 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.671 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 42.5 mmtm -116.07 122.29 44.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 170.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.2 p -93.73 112.14 23.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.803 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -107.37 128.21 54.27 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 172.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -91.13 126.91 36.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.273 0.558 . . . . 15.0 110.831 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -105.85 117.5 34.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.629 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 23.1 t-20 -90.0 119.84 30.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.529 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -77.83 -8.3 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 15.0 112.073 -173.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.463 ' HG3' ' HB2' ' A' ' 434' ' ' GLU . 18.2 mtm180 -81.15 -43.08 19.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.712 -0.395 . . . . 15.0 110.557 -178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.419 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -119.89 7.23 10.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.414 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 17.5 m0 63.44 28.38 15.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.407 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.419 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.3 tp10 -92.04 132.89 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.918 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -115.0 116.05 27.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -136.49 150.17 48.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.084 0.468 . . . . 15.0 111.163 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -82.04 -3.34 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.82 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.87 149.07 32.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 15.0 109.843 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.581 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.8 tttt -89.83 124.7 63.09 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.471 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 16.6 Cg_endo -59.03 149.31 80.51 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.51 2.807 . . . . 15.0 112.577 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -68.42 -18.25 64.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.644 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -10.46 50.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 15.0 110.681 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.581 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 43.1 tp -116.71 -1.87 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.725 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.549 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.86 -1.064 . . . . 15.0 112.077 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.701 -0.56 . . . . 15.0 111.701 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 67.58 151.04 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.099 0.56 . . . . 15.0 111.271 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 29.9 p 51.68 21.21 1.28 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.265 -0.88 . . . . 15.0 111.527 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -178.41 122.55 0.1 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.061 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.22 141.8 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.347 -0.983 . . . . 15.0 108.347 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 56.6 m 72.37 26.18 2.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.886 0.851 . . . . 15.0 110.116 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.626 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.3 pt-20 -72.6 -16.4 61.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.4 -1.273 . . . . 15.0 109.922 177.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.626 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 80.5 m95 -111.53 122.12 46.99 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.306 173.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -102.87 138.63 39.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.706 -0.479 . . . . 15.0 109.706 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -96.56 136.8 36.57 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.72 0.772 . . . . 15.0 111.619 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -134.13 129.68 36.26 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.21 -1.359 . . . . 15.0 109.25 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 445' ' ' THR . 15.2 ttmm -109.06 140.88 42.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.271 0.558 . . . . 15.0 110.439 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.5 p -89.57 150.76 22.27 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.203 -0.908 . . . . 15.0 109.062 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.4 -34.75 1.36 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -84.84 5.09 30.16 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.284 0.564 . . . . 15.0 111.225 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.74 39.83 10.19 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.743 171.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -102.05 123.64 46.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -103.74 111.29 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.061 0.458 . . . . 15.0 111.795 -178.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.401 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 40.4 p90 -107.33 126.81 52.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.69 176.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.5 121.85 32.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.296 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -106.71 116.49 32.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.361 -0.836 . . . . 15.0 111.206 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -89.89 125.55 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.719 -0.474 . . . . 15.0 109.719 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -80.95 0.95 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 15.0 112.375 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 451' ' ' ARG . 29.8 mtm180 -91.08 -45.26 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 15.0 110.769 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -112.33 4.24 17.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 54.5 m0 60.49 29.41 18.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.266 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -89.48 125.86 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 15.0 111.051 -173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -108.23 117.81 35.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.336 -0.393 . . . . 15.0 109.97 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -122.53 150.09 43.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.495 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 75.3 m95 -91.57 -1.17 57.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.5 . . . . 15.0 110.458 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.96 159.4 14.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.755 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -89.97 122.54 67.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 15.0 111.234 -172.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.27 150.18 81.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 124.394 3.396 . . . . 15.0 113.734 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.1 -25.51 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.107 -0.951 . . . . 15.0 112.298 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.402 ' HG2' ' HG2' ' A' ' 434' ' ' GLU . 1.0 OUTLIER -85.58 -9.85 56.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 15.0 111.339 -176.447 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -114.85 2.64 14.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.594 0.711 . . . . 15.0 109.398 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.112 -178.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.628 -0.589 . . . . 15.0 111.628 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 430' ' ' THR . . . 56.28 89.9 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.77 0.428 . . . . 15.0 110.179 -175.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 429' ' ' ALA . 83.0 m 71.35 111.07 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.43 -0.805 . . . . 15.0 108.854 -166.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.25 79.33 0.22 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.197 -170.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.472 HG22 ' OE2' ' A' ' 434' ' ' GLU . 25.1 m -106.45 44.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.15 0.976 . . . . 15.0 110.375 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.4 m 58.27 30.06 18.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.574 -1.648 . . . . 15.0 111.252 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.777 ' HG2' ' HD1' ' A' ' 435' ' ' TRP . 0.0 OUTLIER -94.77 -33.98 12.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.543 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.777 ' HD1' ' HG2' ' A' ' 434' ' ' GLU . 80.2 m95 -121.74 104.97 9.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.633 174.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.1 m -91.94 132.33 36.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.125 -0.694 . . . . 15.0 109.125 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -105.9 134.64 48.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.515 0.674 . . . . 15.0 111.187 -174.091 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 92.3 m-85 -124.96 133.03 53.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.317 -0.856 . . . . 15.0 109.406 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -104.95 144.05 32.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 15.0 110.656 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.3 p -89.58 150.63 22.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.421 -0.809 . . . . 15.0 109.387 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.59 0.99 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.611 0.967 . . . . 15.0 113.611 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 5.3 p-10 -82.72 -4.81 58.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 15.0 111.001 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 43.86 4.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.811 -0.632 . . . . 15.0 113.883 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.2 mmtm -112.08 119.69 39.28 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.222 -0.658 . . . . 15.0 109.222 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -100.0 128.15 46.12 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.863 0.364 . . . . 15.0 111.031 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 48.9 p90 -115.04 137.46 51.98 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.471 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 35.8 m-85 -97.6 122.63 40.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.449 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -105.21 117.31 33.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.952 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.64 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 25.7 t-20 -89.96 121.96 32.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -81.7 4.37 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.863 -173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -94.69 -49.76 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 15.0 109.997 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -101.96 -2.04 30.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.909 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 62.58 27.63 16.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.483 -0.781 . . . . 15.0 110.516 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.49 140.08 31.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 15.0 111.11 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -107.97 113.45 26.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.075 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 30.4 m -122.78 136.86 55.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.275 -0.42 . . . . 15.0 110.618 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -83.45 -26.26 30.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.089 0.471 . . . . 15.0 110.912 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.64 150.81 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.981 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.3 ttpp -89.72 118.5 69.04 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.26 0.552 . . . . 15.0 111.579 -173.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 31.6 Cg_endo -62.77 150.65 87.46 Favored 'Trans proline' 0 N--CA 1.473 0.295 0 C-N-CA 124.399 3.399 . . . . 15.0 113.259 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -57.48 -31.14 65.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.976 -0.557 . . . . 15.0 112.064 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.7 pm0 -69.46 -15.96 63.37 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.833 0.349 . . . . 15.0 111.15 177.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 40.2 tp -112.19 1.28 16.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.337 0.589 . . . . 15.0 110.133 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.111 -0.947 . . . . 15.0 110.232 -178.341 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.04 -0.424 . . . . 15.0 112.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 451' ' ' ARG . . . 62.72 102.78 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.031 0.532 . . . . 15.0 111.516 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.2 m -80.85 48.83 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.698 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.461 ' O ' HG12 ' A' ' 432' ' ' VAL . . . 57.12 82.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.073 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 431' ' ' ALA . 0.4 OUTLIER 75.61 162.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 124.159 0.983 . . . . 15.0 110.342 -175.412 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.1 t 73.5 39.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.485 -0.779 . . . . 15.0 110.38 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.6 pt-20 -76.24 3.74 10.17 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.357 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.657 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 72.9 m95 -115.05 112.66 22.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.6 m -100.74 143.02 31.39 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.465 -0.569 . . . . 15.0 109.465 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -114.67 139.21 49.84 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.408 0.623 . . . . 15.0 111.399 -174.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.32 131.55 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.365 -0.834 . . . . 15.0 108.956 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 31.5 ttmt -90.67 141.67 28.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 15.0 110.588 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 p -89.61 150.74 22.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.522 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.19 -30.19 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.832 1.049 . . . . 15.0 113.832 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.54 3.39 47.66 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.303 0.573 . . . . 15.0 110.865 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.45 52.0 4.13 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.5 -0.773 . . . . 15.0 113.361 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -126.73 126.68 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.4 p -93.89 107.55 19.44 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.155 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -90.12 135.83 33.42 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.444 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 38.6 m-85 -99.47 122.51 42.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.661 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.1 t80 -110.31 118.85 37.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.159 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 3.3 t-20 -90.7 120.05 31.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.529 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -77.28 -7.52 56.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.803 0.298 . . . . 15.0 111.803 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 32.7 mtm180 -98.08 -17.1 19.29 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.836 -0.346 . . . . 15.0 111.761 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 35.3 p -119.99 -11.62 9.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.769 0.319 . . . . 15.0 110.414 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 63.49 30.15 15.27 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.927 0.87 . . . . 15.0 109.753 -178.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 7.5 tp10 -95.02 129.6 42.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.336 -1.302 . . . . 15.0 110.894 -176.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.44 110.22 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.737 -0.468 . . . . 15.0 109.737 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -125.08 150.15 47.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 15.0 110.927 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -88.99 -0.91 57.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.054 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.52 156.15 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.577 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -89.77 115.49 63.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 15.0 110.306 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.77 150.07 89.29 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.396 2.731 . . . . 15.0 111.526 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -68.8 -26.31 65.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 15.0 110.355 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -72.44 -8.59 55.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.114 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.5 tp -135.17 20.36 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.988 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.504 -0.76 . . . . 15.0 111.326 -176.719 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.478 -0.649 . . . . 15.0 111.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.08 82.31 7.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.61 0.719 . . . . 15.0 111.341 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.8 t -97.67 -2.86 40.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 15.0 108.712 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.519 ' HB1' ' OE1' ' A' ' 434' ' ' GLU . . . -157.55 108.5 2.27 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 113.907 -1.497 . . . . 15.0 109.247 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.27 153.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.6 m 69.07 23.95 6.33 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.96 0.886 . . . . 15.0 109.419 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.519 ' OE1' ' HB1' ' A' ' 431' ' ' ALA . 6.0 pt-20 -95.09 -2.83 49.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.262 -1.336 . . . . 15.0 111.191 -175.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.511 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 71.7 m95 -105.87 119.74 39.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.74 -0.664 . . . . 15.0 110.657 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.5 m -107.35 135.8 48.23 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.823 -0.806 . . . . 15.0 108.823 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.6 OUTLIER -108.88 134.1 52.02 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.614 0.721 . . . . 15.0 110.82 -177.164 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.64 124.53 44.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.128 -0.942 . . . . 15.0 109.669 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -107.24 142.16 37.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.224 0.535 . . . . 15.0 110.259 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.8 p -89.45 150.68 22.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.312 -0.858 . . . . 15.0 108.809 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.45 -31.04 0.96 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.327 0.862 . . . . 15.0 113.327 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.09 -4.79 59.17 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.162 0.506 . . . . 15.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 43.68 4.97 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.715 -0.675 . . . . 15.0 113.946 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -99.69 110.58 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.359 -0.978 . . . . 15.0 108.359 166.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -107.88 125.24 51.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.905 0.383 . . . . 15.0 110.385 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.5 p90 -125.67 139.99 53.09 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.934 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.4 m-85 -98.41 122.44 41.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.627 -175.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -108.71 119.42 39.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.885 -173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.91 118.3 29.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 15.0 109.519 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -74.53 -8.52 56.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.635 0.605 . . . . 15.0 112.635 -171.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.508 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 24.0 mtm180 -77.2 -64.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.45 0.643 . . . . 15.0 109.94 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.0 p -102.4 6.65 40.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.25 -0.887 . . . . 15.0 111.964 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 26.1 m0 65.11 30.22 11.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.209 0.528 . . . . 15.0 110.658 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.67 123.4 33.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.459 -172.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.3 m -114.21 124.14 51.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.595 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.4 t -133.7 149.91 51.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.411 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 64.6 m95 -90.94 0.28 57.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.231 0.539 . . . . 15.0 110.305 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -98.09 148.55 23.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.803 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 32.0 tttp -89.69 113.49 57.03 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.536 -0.302 . . . . 15.0 110.247 -173.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.14 142.25 86.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.077 2.518 . . . . 15.0 111.643 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -21.45 29.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 111.475 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.82 -22.69 64.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.42 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 tp -127.62 -10.68 5.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.865 0.364 . . . . 15.0 111.338 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.803 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 23.8 ttmm . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.501 -0.761 . . . . 15.0 110.818 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.282 -0.327 . . . . 15.0 112.282 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -96.58 84.28 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.285 0.564 . . . . 15.0 110.861 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' THR . . . . . 0.652 ' HB ' HD12 ' A' ' 463' ' ' LEU . 21.9 p -105.44 108.78 20.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.313 178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' ' 463' ' ' LEU . . . 56.02 84.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.849 0.718 . . . . 15.0 111.073 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 432' ' ' VAL . 2.8 m -78.16 67.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 15.0 111.464 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.7 m 59.06 25.73 14.25 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.656 -1.156 . . . . 15.0 112.245 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 pt-20 -119.11 -22.38 7.23 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.122 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.58 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 75.2 m95 -126.26 111.22 14.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.736 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.2 m -99.0 139.43 34.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.443 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -101.06 137.81 38.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.431 0.634 . . . . 15.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -136.69 132.13 34.51 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.624 -1.171 . . . . 15.0 109.528 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -106.66 135.64 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.323 0.583 . . . . 15.0 111.179 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 39.3 p -89.69 150.88 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 15.0 109.023 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -36.19 0.23 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.931 1.086 . . . . 15.0 113.931 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.612 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.1 p-10 -82.88 -4.92 58.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.989 -0.444 . . . . 15.0 111.375 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 30.23 13.31 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.9 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.706 ' HE3' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -91.68 123.71 35.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.539 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 p -98.52 106.15 18.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.544 -0.298 . . . . 15.0 111.086 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.483 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.6 p90 -96.67 135.21 38.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -103.09 129.66 50.0 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.46 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -113.26 117.95 33.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.919 -175.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 18.0 t-20 -90.47 128.29 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -81.8 -4.9 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.711 -172.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.419 ' HD3' HH11 ' A' ' 451' ' ' ARG . 34.4 mtm-85 -86.88 -52.07 5.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.141 0.496 . . . . 15.0 110.508 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.6 p -99.72 -1.34 38.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.851 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 60.52 29.86 19.32 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.554 0.692 . . . . 15.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.08 125.55 38.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.021 -0.99 . . . . 15.0 110.695 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.7 p -111.41 112.77 24.75 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.014 -0.993 . . . . 15.0 110.045 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -126.31 150.26 48.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.135 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.483 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -85.94 -7.24 58.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 15.0 111.297 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.68 150.9 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.56 -0.533 . . . . 15.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -89.78 110.41 39.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.965 -0.383 . . . . 15.0 109.965 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.3 149.93 61.63 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.685 2.924 . . . . 15.0 113.04 -174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -67.32 -24.93 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 15.0 111.16 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.6 pm0 -75.8 -7.21 53.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.757 0.313 . . . . 15.0 110.804 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.652 HD12 ' HB ' ' A' ' 430' ' ' THR . 51.8 tp -120.24 7.25 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 15.0 109.8 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.526 -0.749 . . . . 15.0 109.671 178.011 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.264 -0.334 . . . . 15.0 112.264 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . 0.463 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . . . -143.16 138.58 29.86 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.556 0.342 . . . . 15.0 110.12 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 24.7 p -88.4 19.79 3.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.345 0.593 . . . . 15.0 109.834 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 432' ' ' VAL . . . 61.25 64.54 1.08 Allowed 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.661 -1.154 . . . . 15.0 110.145 -174.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 431' ' ' ALA . 0.3 OUTLIER 66.43 160.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 112.768 -2.015 . . . . 15.0 111.234 -176.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.7 m 69.92 40.38 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.082 -0.963 . . . . 15.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.502 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 22.0 mm-40 -59.9 -21.01 60.49 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.123 -0.944 . . . . 15.0 111.262 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.408 ' HD1' ' CG ' ' A' ' 462' ' ' GLU . 76.3 m95 -110.38 122.49 47.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.734 -0.667 . . . . 15.0 110.356 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -104.42 143.6 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.74 128.95 53.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.652 0.739 . . . . 15.0 111.43 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.88 137.19 47.93 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.489 -1.232 . . . . 15.0 110.185 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -96.35 144.08 26.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.221 0.534 . . . . 15.0 110.918 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.3 p -89.72 150.92 22.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.143 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.78 -30.13 0.23 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.19 -3.68 55.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.171 0.51 . . . . 15.0 111.324 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 49.93 3.17 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.78 -0.645 . . . . 15.0 113.934 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -120.23 125.5 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.4 p -89.93 109.72 20.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.773 0.32 . . . . 15.0 111.404 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -96.42 132.33 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -98.29 118.93 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.135 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -107.6 121.41 44.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.033 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -89.93 116.31 27.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.848 -0.797 . . . . 15.0 108.848 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.77 -2.24 22.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.671 0.607 . . . . 15.0 111.533 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.502 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 30.0 mtm180 -86.08 -63.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 15.0 110.202 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -87.56 -3.79 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.149 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 61.9 30.0 18.01 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 115.613 -0.721 . . . . 15.0 110.021 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.12 146.0 23.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.051 -0.977 . . . . 15.0 110.589 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.2 t -124.39 112.07 16.5 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -130.46 150.4 51.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 15.0 111.144 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -83.46 -4.59 58.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.291 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.05 135.32 43.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.515 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 57.8 tttp -89.82 112.02 49.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.236 0.541 . . . . 15.0 110.062 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 15.8 Cg_exo -69.6 150.32 69.04 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.967 3.111 . . . . 15.0 112.752 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -61.73 -30.44 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.431 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.408 ' CG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -83.73 5.84 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.362 178.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.479 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 36.7 tp -127.34 14.39 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.206 0.527 . . . . 15.0 110.54 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.522 -0.752 . . . . 15.0 110.135 178.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.497 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.1 pm0 . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.148 0.499 . . . . 15.0 109.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 76.3 m95 -104.87 116.68 32.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.051 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.2 m -109.71 141.07 42.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.088 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.93 135.52 33.68 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.817 0.818 . . . . 15.0 110.935 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -129.3 124.16 33.65 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.927 -1.488 . . . . 15.0 109.239 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -106.76 142.22 36.74 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.712 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.5 p -89.9 150.57 22.13 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.342 -0.984 . . . . 15.0 108.342 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.69 2.04 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.829 0.677 . . . . 15.0 112.829 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.7 p-10 -81.35 -5.17 57.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.873 0.368 . . . . 15.0 111.417 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.4 44.81 5.17 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 116.049 -0.523 . . . . 15.0 113.678 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 49.1 mmtm -106.6 127.31 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.164 -0.68 . . . . 15.0 109.164 170.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 22.3 p -102.83 110.01 21.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.583 -0.28 . . . . 15.0 111.672 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.1 p90 -107.88 136.06 48.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 173.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -96.57 122.46 39.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.154 0.502 . . . . 15.0 110.891 -174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -96.57 122.42 39.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.489 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.5 t-20 -101.98 125.21 48.61 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.459 -0.792 . . . . 15.0 110.45 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.96 -1.24 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.965 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 19.5 mtm180 -83.7 -42.72 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.478 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.3 p -120.04 4.9 10.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.927 0.344 . . . . 15.0 111.927 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.6 m0 65.0 29.88 12.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.458 . . . . 15.0 110.495 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -89.57 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.824 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.6 m -124.57 98.75 5.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -124.04 150.2 45.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.864 0.364 . . . . 15.0 111.026 -173.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 69.8 m95 -81.12 -3.19 51.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.197 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -77.31 145.83 37.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.114 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 80.7 tttt -89.81 118.61 69.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 18.3 Cg_endo -59.81 150.08 79.55 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.653 2.902 . . . . 15.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.98 -22.35 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.678 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 2.0 pm0 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.009 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.057 0.456 . . . . 15.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.623 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 86.1 m95 -89.77 118.49 29.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 15.0 110.645 -175.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 5.4 m -105.69 144.36 32.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.86 -0.609 . . . . 15.0 110.136 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -101.21 136.52 40.93 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.44 0.638 . . . . 15.0 110.679 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.6 m-85 -137.61 129.58 28.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.836 -1.074 . . . . 15.0 110.066 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -103.47 138.92 39.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 15.0 110.337 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.1 p -89.48 150.73 22.34 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.017 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.58 -30.03 1.37 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.447 0.906 . . . . 15.0 113.447 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -85.74 2.18 46.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.22 0.533 . . . . 15.0 110.94 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 77.97 62.17 2.4 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.564 -0.744 . . . . 15.0 113.403 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.479 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.5 mmtm -126.73 122.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 170.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 6.4 p -98.24 116.25 30.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 15.0 111.281 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -113.19 136.97 52.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.648 176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 455' ' ' SER . 71.0 m-85 -96.89 127.21 42.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 15.0 109.929 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 83.6 t80 -107.89 124.76 50.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 15.0 111.208 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.623 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 26.3 t-20 -105.16 135.06 47.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 15.0 110.325 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -93.44 -5.11 50.05 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.353 0.408 . . . . 15.0 111.58 -173.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -78.98 -51.17 9.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.324 0.583 . . . . 15.0 109.947 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.9 p -110.49 0.37 17.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.584 -0.734 . . . . 15.0 112.02 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 50.0 m0 64.35 30.02 13.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.492 0.663 . . . . 15.0 110.048 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.23 131.63 35.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.518 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 9.8 m -121.8 102.1 7.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.936 -0.574 . . . . 15.0 109.481 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -118.06 150.16 39.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.027 0.441 . . . . 15.0 110.975 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 57.7 m95 -87.23 -6.86 58.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.701 -0.681 . . . . 15.0 109.728 177.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.08 165.02 13.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.514 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 52.7 mtpt -89.78 123.32 66.66 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.095 0.474 . . . . 15.0 111.626 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 18.7 Cg_endo -60.16 150.17 80.87 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.676 2.918 . . . . 15.0 112.474 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.9 -19.38 65.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.418 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.433 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.6 pm0 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 4.4 tp10 . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 109.338 -0.615 . . . . 15.0 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.695 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 92.7 m95 -107.32 115.04 29.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.286 -0.87 . . . . 15.0 109.799 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -105.41 142.54 34.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.693 -0.484 . . . . 15.0 109.693 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.483 ' OE2' HG22 ' A' ' 445' ' ' THR . 11.6 tm-20 -89.85 133.37 34.77 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.165 0.983 . . . . 15.0 109.756 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.7 125.78 36.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.701 -1.591 . . . . 15.0 109.128 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -103.58 144.23 31.7 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.965 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.8 p -89.67 150.92 22.13 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.769 -1.105 . . . . 15.0 109.022 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.98 -29.71 0.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.517 0.562 . . . . 15.0 112.517 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -9.42 59.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.08 0.4 . . . . 15.0 112.08 178.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 35.55 7.61 Favored Glycine 0 CA--C 1.516 0.143 0 CA-C-N 116.268 -0.424 . . . . 15.0 113.978 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -102.19 131.3 48.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.483 HG22 ' OE2' ' A' ' 437' ' ' GLU . 18.8 p -91.97 111.5 23.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.73 -177.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.2 p90 -115.3 122.78 46.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.552 0.691 . . . . 15.0 109.723 174.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 455' ' ' SER . 2.3 m-85 -90.06 118.76 29.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.14 -174.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -101.94 123.39 45.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.407 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.592 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 22.6 t-20 -106.04 130.49 53.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.016 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -84.29 1.45 44.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.709 0.633 . . . . 15.0 112.709 -172.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -81.28 -58.36 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.588 -0.523 . . . . 15.0 109.588 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 18.5 p -101.84 3.03 38.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.146 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 59.79 29.58 19.15 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.53 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -96.33 139.59 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.641 -0.709 . . . . 15.0 110.967 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.601 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.6 m -112.23 105.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.847 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -101.9 142.67 32.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.043 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -92.28 19.46 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 15.0 111.048 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 9.0 tp10 -149.61 163.53 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 34.1 mtmm -90.01 115.65 64.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.307 0.575 . . . . 15.0 112.396 -171.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 435' ' ' TRP . 24.4 Cg_exo -66.27 150.53 84.69 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.766 3.644 . . . . 15.0 112.138 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -51.1 -21.17 1.76 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.444 0.905 . . . . 15.0 113.444 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.695 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 121.288 0.566 . . . . 15.0 111.13 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.858 ' HG3' HH11 ' A' ' 451' ' ' ARG . 9.6 mm-40 . . . . . 0 C--O 1.236 0.375 0 CA-C-O 121.469 0.652 . . . . 15.0 109.473 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 77.5 m95 -95.92 116.49 29.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.698 -1.137 . . . . 15.0 110.114 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.0 m -104.08 145.45 30.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.184 -0.462 . . . . 15.0 109.893 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -99.0 135.27 40.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.748 0.785 . . . . 15.0 110.574 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -130.81 127.36 38.49 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.202 -1.363 . . . . 15.0 109.895 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -103.08 145.92 29.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.141 -0.481 . . . . 15.0 109.923 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.6 p -89.63 150.66 22.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.2 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.69 -30.32 0.91 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.704 0.631 . . . . 15.0 112.704 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.53 -7.79 59.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.833 0.349 . . . . 15.0 111.73 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.486 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.21 45.32 4.45 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 116.373 -0.376 . . . . 15.0 113.929 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 443' ' ' GLY . 0.7 OUTLIER -115.67 131.66 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.8 p -101.03 127.05 47.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.893 0.331 . . . . 15.0 111.893 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.427 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 46.9 p90 -120.9 140.32 51.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.68 127.91 42.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.112 0.482 . . . . 15.0 110.779 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -113.14 118.86 35.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.387 -0.824 . . . . 15.0 110.69 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.549 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 6.7 t-20 -90.04 117.9 29.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.854 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -73.53 -6.96 49.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.619 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.858 HH11 ' HG3' ' A' ' 434' ' ' GLU . 29.1 mtm-85 -83.87 -35.85 23.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.932 0.396 . . . . 15.0 110.942 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -120.1 -4.87 10.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.796 -174.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 15.3 m0 63.3 29.65 15.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.413 0.625 . . . . 15.0 109.821 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.95 138.54 31.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 15.0 110.318 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -127.23 119.4 26.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.0 t -136.63 150.12 48.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.922 0.392 . . . . 15.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.427 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 61.8 m95 -84.98 -0.32 53.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.264 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.74 158.55 15.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.848 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -89.79 123.62 65.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 15.0 110.966 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.11 145.81 89.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.501 2.8 . . . . 15.0 112.674 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.72 -17.68 63.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 15.0 112.536 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.512 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.8 pt-20 . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 121.325 0.583 . . . . 15.0 110.191 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.587 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 13.3 mt-10 . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 108.672 -0.862 . . . . 15.0 108.672 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.681 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 -94.95 105.17 17.07 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.302 -1.317 . . . . 15.0 108.318 169.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.438 ' HB ' ' CE2' ' A' ' 438' ' ' TYR . 1.8 m -90.1 137.92 31.95 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.99 129.17 36.35 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.804 0.811 . . . . 15.0 110.171 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.438 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 81.7 m-85 -129.95 123.45 30.71 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.146 -1.388 . . . . 15.0 110.243 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 440' ' ' THR . 31.7 ttpt -101.72 141.64 34.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.161 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 439' ' ' LYS . 49.3 p -89.47 150.45 22.48 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.33 -0.989 . . . . 15.0 108.33 173.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.03 -38.2 1.57 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.325 0.861 . . . . 15.0 113.325 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -79.02 -5.64 54.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.163 0.506 . . . . 15.0 111.506 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.08 58.57 1.67 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.893 -0.594 . . . . 15.0 113.659 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -123.3 117.35 25.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 170.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.0 p -95.98 118.38 32.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.681 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -115.17 144.5 43.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.39 -0.596 . . . . 15.0 109.39 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -101.12 123.4 45.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 15.0 109.92 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.4 t80 -115.34 117.14 29.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.131 -173.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 5.9 t-20 -89.9 120.61 31.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -74.75 -9.13 58.26 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.703 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.587 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 44.0 mtm-85 -80.21 -34.49 37.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 15.0 110.9 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.7 p -119.91 -7.71 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.422 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m0 62.82 29.85 16.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.608 0.718 . . . . 15.0 109.605 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 5.1 tp10 -89.88 139.99 30.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.691 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 m -121.91 125.14 45.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.849 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.6 t -142.65 150.1 39.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.69 0.281 . . . . 15.0 110.577 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -85.79 -7.01 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 15.0 110.509 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.88 160.71 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.236 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -89.66 125.28 61.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.314 0.578 . . . . 15.0 110.85 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.441 ' HG3' ' CB ' ' A' ' 435' ' ' TRP . 30.2 Cg_endo -63.1 150.14 89.47 Favored 'Trans proline' 0 C--N 1.335 -0.132 0 C-N-CA 123.83 3.02 . . . . 15.0 112.916 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -49.89 -28.4 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.166 -0.924 . . . . 15.0 112.45 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.484 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.4 pt-20 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 111.96 0.356 . . . . 15.0 111.96 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.473 ' OE1' ' HG3' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 107.445 -1.317 . . . . 15.0 107.445 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -96.5 145.98 25.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.888 -1.505 . . . . 15.0 109.364 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.1 m -143.83 141.65 30.46 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.759 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -106.36 139.6 40.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.431 0.634 . . . . 15.0 110.375 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -126.28 127.14 45.14 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.914 -1.039 . . . . 15.0 109.441 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -89.99 138.16 31.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.484 0.659 . . . . 15.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.4 p -89.43 150.84 22.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.771 -1.104 . . . . 15.0 108.717 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.13 -29.9 0.13 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.615 0.969 . . . . 15.0 113.615 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 6.5 p-10 -90.52 0.32 57.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 15.0 111.363 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.468 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 86.83 38.39 8.06 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.005 -0.543 . . . . 15.0 114.18 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 1.1 mmpp? -104.49 120.07 40.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 15.0 109.415 172.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.1 p -98.54 104.31 16.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.74 0.305 . . . . 15.0 111.376 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -94.94 138.44 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.759 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 58.5 m-85 -97.59 117.44 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.499 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 70.3 t80 -105.66 131.86 52.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.371 -173.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 18.4 t-20 -116.86 134.5 54.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.978 174.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -88.75 -15.45 34.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 15.0 111.552 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.473 ' HG3' ' OE1' ' A' ' 434' ' ' GLU . 19.6 mtm180 -69.42 -45.12 69.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 15.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.8 t -120.1 6.09 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 15.0 111.417 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m95 63.25 30.31 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.11 0.481 . . . . 15.0 111.007 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HB2' HG23 ' A' ' 452' ' ' THR . 8.7 tp10 -89.42 129.94 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.911 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.97 99.97 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.015 -0.735 . . . . 15.0 109.015 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.0 t -120.26 150.33 40.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 15.0 110.856 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -88.1 0.63 55.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 10.1 tp10 -95.57 134.15 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.613 177.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 63.0 tttp -92.09 109.55 38.25 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 15.0 110.659 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.4 Cg_exo -65.13 150.17 88.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.579 2.852 . . . . 15.0 112.689 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -68.07 -14.47 63.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.47 0.653 . . . . 15.0 110.118 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.033 177.286 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.692 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 120.996 0.427 . . . . 15.0 110.698 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.692 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 85.9 m95 -104.63 116.71 32.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.367 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.2 m -102.53 145.27 29.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.903 -0.589 . . . . 15.0 109.938 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.97 135.77 39.9 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.02 0.914 . . . . 15.0 110.874 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -132.85 126.19 31.68 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 113.66 -1.609 . . . . 15.0 108.393 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 3.1 ttmp? -113.59 146.4 39.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.408 0.623 . . . . 15.0 110.998 -173.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.5 p -89.76 150.65 22.19 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.089 -0.959 . . . . 15.0 108.935 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.48 -32.84 0.97 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.243 0.831 . . . . 15.0 113.243 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.26 -3.03 57.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.137 0.494 . . . . 15.0 111.255 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.01 42.88 5.83 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.628 -0.715 . . . . 15.0 113.828 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.879 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 7.8 mmpt? -107.06 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.477 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 47.2 p -99.16 113.33 25.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.334 -0.394 . . . . 15.0 111.777 -175.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.46 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.9 p90 -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 171.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -90.01 126.87 35.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.314 -174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -109.77 118.01 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.634 -0.712 . . . . 15.0 110.923 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.4 t-20 -91.33 121.82 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.977 -0.556 . . . . 15.0 109.886 177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -80.6 -6.01 57.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.955 0.354 . . . . 15.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.644 ' CZ ' ' HG3' ' A' ' 434' ' ' GLU . 24.5 mtm180 -75.49 -46.85 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.637 -0.425 . . . . 15.0 110.812 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.2 t -120.22 10.57 11.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.33 29.97 19.44 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.9 0.381 . . . . 15.0 111.682 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.16 135.12 33.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.323 0.582 . . . . 15.0 111.33 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -110.83 108.23 17.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.663 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.541 -0.3 . . . . 15.0 110.96 -173.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.46 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -90.98 -17.18 26.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.36 169.23 18.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.482 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 63.6 tttt -108.46 107.84 60.48 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.333 -0.547 . . . . 15.0 110.643 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.553 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 14.1 Cg_endo -56.25 145.1 79.03 Favored 'Trans proline' 0 N--CA 1.473 0.322 0 C-N-CA 123.957 3.104 . . . . 15.0 112.488 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.12 -28.59 69.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.053 0.39 . . . . 15.0 112.053 -176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.8 pm0 . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.658 0.266 . . . . 15.0 111.648 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.619 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.258 0.551 . . . . 15.0 109.599 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 87.4 m95 -108.85 106.51 16.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.1 -0.954 . . . . 15.0 109.653 174.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.4 m -90.15 140.6 29.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.489 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -102.56 133.95 46.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 15.0 111.393 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -136.85 125.15 23.23 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.503 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -101.96 142.05 33.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 15.0 110.275 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 60.3 p -89.73 150.63 22.22 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.03 -31.68 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.341 0.867 . . . . 15.0 113.341 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 9.6 p-10 -84.29 -0.47 52.53 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.275 0.56 . . . . 15.0 111.299 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 39.36 6.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.737 -0.665 . . . . 15.0 113.943 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.8 mmtm -106.57 120.76 42.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 p -98.45 107.04 19.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.577 0.227 . . . . 15.0 111.239 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.6 p90 -100.47 135.82 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.367 -0.605 . . . . 15.0 109.367 175.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -94.94 126.07 40.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.156 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 89.4 t80 -106.61 117.07 33.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.43 -176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 4.7 t-20 -89.84 116.31 27.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -70.71 -8.08 49.44 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.706 0.629 . . . . 15.0 111.188 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.619 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 24.0 mtm180 -83.98 -35.71 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.17 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.7 p -120.08 -6.48 9.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.499 -0.319 . . . . 15.0 111.564 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 38.2 m0 65.1 29.84 11.85 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.827 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 9.6 tp10 -90.67 143.73 26.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.534 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.0 m -126.3 106.21 9.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 15.0 110.213 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 13.4 t -125.09 150.24 47.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.976 0.417 . . . . 15.0 110.884 -177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 38.9 m95 -90.44 -1.14 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.129 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.446 ' HG2' ' OG1' ' A' ' 456' ' ' THR . 11.3 pt-20 -97.56 168.34 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.235 -0.283 . . . . 15.0 110.235 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 35.9 ttmt -90.1 122.79 67.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 15.0 111.417 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.7 Cg_endo -63.49 149.93 89.81 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.421 2.747 . . . . 15.0 112.526 172.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.34 -27.83 68.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.608 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.415 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.7 pm0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.754 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.93 ' HG3' HH11 ' A' ' 451' ' ' ARG . 5.4 mm-40 . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.31 0.576 . . . . 15.0 109.74 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 71.3 m95 -95.82 116.71 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.915 -1.039 . . . . 15.0 109.756 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -103.02 145.53 29.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.574 -0.528 . . . . 15.0 109.574 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 438' ' ' TYR . 3.5 tt0 -89.99 142.23 27.9 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.878 0.847 . . . . 15.0 111.162 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.489 ' N ' ' HG2' ' A' ' 437' ' ' GLU . 80.8 m-85 -134.77 124.91 25.92 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.784 -1.553 . . . . 15.0 108.524 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -114.68 139.2 49.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.101 0.477 . . . . 15.0 110.467 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.9 p -89.58 150.95 22.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.283 -0.872 . . . . 15.0 109.505 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -37.95 -40.48 0.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.229 1.196 . . . . 15.0 114.229 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.61 4.44 28.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.354 0.597 . . . . 15.0 111.464 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.69 49.31 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.316 -0.856 . . . . 15.0 113.89 172.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -112.98 127.55 56.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.2 p -100.83 117.66 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.979 0.419 . . . . 15.0 111.694 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 43.8 p90 -110.62 127.59 55.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.737 -0.838 . . . . 15.0 108.737 172.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -98.08 126.85 43.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.813 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -107.76 118.19 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.18 -0.918 . . . . 15.0 111.315 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.1 t-20 -90.08 124.84 35.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.395 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -79.7 -3.36 47.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.568 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.93 HH11 ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -87.26 -50.24 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.137 0.494 . . . . 15.0 110.52 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 40.9 p -106.63 1.87 25.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.073 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.8 m0 61.84 28.15 17.21 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.616 -0.72 . . . . 15.0 110.611 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.43 126.49 36.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 15.0 111.051 -172.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.5 m -107.09 112.02 24.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.251 -0.431 . . . . 15.0 109.846 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -120.68 150.1 41.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 110.804 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.453 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.8 m95 -86.58 0.15 54.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.194 0.521 . . . . 15.0 110.35 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -90.69 155.6 18.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.153 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -89.92 114.07 59.42 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.425 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.96 146.38 80.22 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.888 3.058 . . . . 15.0 114.1 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -69.36 -19.71 63.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.119 -0.946 . . . . 15.0 112.135 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.485 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.288 0.566 . . . . 15.0 110.177 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.717 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 8.1 pt-20 . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 120.446 0.165 . . . . 15.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 97.4 m95 -128.37 107.75 10.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.019 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 142.56 33.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.024 -0.534 . . . . 15.0 109.995 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.11 136.96 38.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.394 0.616 . . . . 15.0 111.013 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.67 124.17 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.629 -1.169 . . . . 15.0 110.005 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.83 140.21 30.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.174 0.511 . . . . 15.0 110.637 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.3 p -89.65 151.0 22.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.012 . . . . 15.0 108.854 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -40.47 -35.03 0.4 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.22 -5.43 59.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.173 0.511 . . . . 15.0 111.247 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 45.43 4.5 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.698 -0.683 . . . . 15.0 113.551 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -109.75 119.45 39.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 p -92.7 105.09 17.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.702 0.287 . . . . 15.0 111.124 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -93.89 131.72 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.564 -0.532 . . . . 15.0 109.564 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -95.13 120.49 35.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.987 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -107.68 121.63 45.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.859 -171.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.717 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.6 t-20 -92.15 118.3 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -81.66 0.46 38.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.646 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 451' ' ' ARG . 24.5 mtm180 -87.76 -46.67 9.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.88 0.372 . . . . 15.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 453' ' ' TRP . 25.0 p -108.92 -4.31 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.317 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 11.2 m0 67.16 30.41 7.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.468 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.32 134.58 34.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.403 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 p -118.82 110.61 17.41 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.624 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -113.99 150.12 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 15.0 110.886 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -95.61 -5.71 41.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.194 0.521 . . . . 15.0 110.271 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.24 152.42 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.706 -0.85 . . . . 15.0 108.706 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -89.42 112.54 52.12 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -51.92 150.08 18.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.987 3.125 . . . . 15.0 113.311 -174.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -66.24 -22.6 66.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.799 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.675 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 CA--C 1.514 -0.408 0 CA-C-O 121.198 0.523 . . . . 15.0 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 67.2 m95 -113.15 112.47 23.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.174 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -92.03 140.17 29.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.234 -0.654 . . . . 15.0 109.234 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -93.18 133.86 35.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.791 0.805 . . . . 15.0 111.128 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.61 124.39 23.93 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.945 -1.48 . . . . 15.0 108.773 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 26.7 ttmt -99.09 143.19 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.391 0.615 . . . . 15.0 111.069 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.0 p -89.64 150.78 22.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.105 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.84 -34.53 1.63 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.175 0.806 . . . . 15.0 113.175 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -78.77 -4.43 49.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.041 0.448 . . . . 15.0 111.397 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.96 37.48 7.24 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.945 -0.57 . . . . 15.0 113.283 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.856 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -109.59 125.22 52.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 173.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 36.2 p -92.34 107.47 19.24 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.234 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -93.34 126.62 38.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 459' ' ' LYS . 27.3 m-85 -90.42 123.92 34.53 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.217 0.532 . . . . 15.0 110.324 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.23 115.47 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.507 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.609 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.8 t-20 -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.362 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -78.53 -3.51 44.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.416 -0.811 . . . . 15.0 112.06 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 22.0 mtm180 -81.0 -63.31 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 15.0 110.081 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 29.3 p -104.66 7.63 34.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.242 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 13.2 m0 63.05 30.49 16.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.658 0.742 . . . . 15.0 110.472 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -89.85 127.71 36.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.893 -1.049 . . . . 15.0 110.519 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.29 117.52 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.795 0.331 . . . . 15.0 110.747 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.2 t -138.58 150.37 46.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.142 0.496 . . . . 15.0 110.842 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -80.3 -4.33 52.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.696 -0.684 . . . . 15.0 110.249 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD2' ' A' ' 447' ' ' TYR . 33.5 mt-10 -79.93 151.5 30.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' A' ' 447' ' ' TYR . 20.4 tptm -91.82 112.8 56.45 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.726 0.298 . . . . 15.0 110.405 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 37.1 Cg_endo -67.18 150.05 81.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.133 2.555 . . . . 15.0 112.466 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.12 -28.81 69.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 15.0 111.249 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.497 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 2.4 pm0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.559 ' HG3' ' HD3' ' A' ' 451' ' ' ARG . 9.5 mm-40 . . . . . 0 CA--C 1.513 -0.456 0 CA-C-O 121.407 0.622 . . . . 15.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.635 ' CD2' ' HG3' ' A' ' 460' ' ' PRO . 68.1 m95 -101.89 129.38 48.12 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.6 -176.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -129.39 142.37 50.82 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.194 -0.669 . . . . 15.0 109.194 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.73 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -106.49 137.87 43.69 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.588 0.708 . . . . 15.0 110.408 177.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -121.32 132.25 54.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.584 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -93.14 139.72 30.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.229 0.538 . . . . 15.0 110.73 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.8 p -89.6 150.8 22.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.101 -0.954 . . . . 15.0 108.453 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.6 -33.66 0.74 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.678 0.992 . . . . 15.0 113.678 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.34 -5.65 59.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.026 0.441 . . . . 15.0 111.363 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.71 59.72 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.754 -0.657 . . . . 15.0 113.765 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -126.12 124.82 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.301 -0.629 . . . . 15.0 109.301 172.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.7 p -101.96 104.04 14.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.593 0.235 . . . . 15.0 111.356 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -93.61 138.58 31.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.185 -0.672 . . . . 15.0 109.185 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.73 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 50.5 m-85 -98.18 120.87 39.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.331 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.93 130.35 55.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.723 -0.672 . . . . 15.0 111.408 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.545 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.0 t-20 -107.53 125.66 51.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.024 175.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -80.4 -7.62 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.516 -0.311 . . . . 15.0 111.451 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.559 ' HD3' ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -78.3 -48.49 15.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.335 . . . . 15.0 111.17 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 23.3 p -116.51 6.25 13.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.15 0.426 . . . . 15.0 112.15 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 31.0 m0 63.18 29.97 16.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.143 0.497 . . . . 15.0 110.014 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.61 136.2 33.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.816 -172.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.8 m -123.93 113.03 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -134.64 150.38 50.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.187 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -85.52 3.53 40.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 15.0 110.323 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.82 131.71 36.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -89.72 116.56 66.66 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 15.0 110.761 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 61.0 Cg_endo -70.27 150.23 64.8 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.692 2.928 . . . . 15.0 112.72 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -60.18 -26.48 66.36 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.508 0.558 . . . . 15.0 112.508 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.504 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 6.2 pt-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.113 0.483 . . . . 15.0 110.621 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.1 pt-20 . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.086 0.47 . . . . 15.0 110.544 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 64.7 m95 -105.39 114.09 28.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 15.0 109.697 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.2 m -96.99 143.77 27.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.964 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -92.82 132.0 37.37 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.856 0.836 . . . . 15.0 111.208 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.17 124.48 26.09 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.62 -1.627 . . . . 15.0 109.21 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.481 ' HE3' ' CG2' ' A' ' 445' ' ' THR . 3.2 ttmp? -116.59 142.55 46.75 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.848 -174.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.65 150.51 22.33 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.564 -0.902 . . . . 15.0 108.564 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.15 -38.3 2.39 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.267 0.84 . . . . 15.0 113.267 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.6 p-10 -73.46 -7.77 53.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.018 0.437 . . . . 15.0 111.254 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.434 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.12 42.72 5.21 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.711 -0.677 . . . . 15.0 113.701 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.563 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 0.0 OUTLIER -101.67 119.26 38.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.273 -0.64 . . . . 15.0 109.273 170.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.481 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 9.0 p -96.28 112.93 24.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 15.0 111.455 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -111.08 125.05 53.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.351 0.596 . . . . 15.0 109.65 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -89.98 122.49 33.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.995 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -104.88 116.89 32.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.963 -173.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -90.19 118.65 29.88 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -74.88 -15.01 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.8 0.296 . . . . 15.0 111.8 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -79.31 -34.19 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.471 . . . . 15.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.9 p -111.97 -11.64 13.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.302 -176.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m95 64.35 25.16 13.4 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.547 0.689 . . . . 15.0 109.688 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.64 123.12 39.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.877 -1.056 . . . . 15.0 110.657 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -106.37 118.1 35.77 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.326 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.4 t -121.25 150.24 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.647 0.26 . . . . 15.0 110.698 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 81.9 m95 -89.59 -10.92 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.42 0.629 . . . . 15.0 109.986 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.22 156.56 20.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 15.0 109.413 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 99.2 mttt -89.76 121.41 69.05 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.036 0.446 . . . . 15.0 110.824 -176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_endo -57.09 150.17 58.32 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.501 2.8 . . . . 15.0 111.751 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.62 -29.2 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 123.266 0.627 . . . . 15.0 112.196 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.884 0.373 . . . . 15.0 111.472 179.059 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.3 pm0 . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.197 0.522 . . . . 15.0 110.208 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 78.5 m95 -104.79 128.9 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.45 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.9 m -117.77 144.88 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.21 138.16 31.87 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.754 0.787 . . . . 15.0 111.122 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -132.85 124.59 28.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.107 -1.406 . . . . 15.0 109.339 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -107.8 143.7 35.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.895 -0.593 . . . . 15.0 110.698 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.1 p -89.55 150.74 22.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.33 -35.25 5.19 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.791 0.663 . . . . 15.0 112.791 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 4.8 p-10 -80.72 -1.96 44.87 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.012 0.434 . . . . 15.0 111.219 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 84.92 51.52 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.671 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 42.5 mmtm -116.07 122.29 44.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 170.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.2 p -93.73 112.14 23.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.803 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -107.37 128.21 54.27 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 172.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -91.13 126.91 36.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.273 0.558 . . . . 15.0 110.831 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -105.85 117.5 34.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.629 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 23.1 t-20 -90.0 119.84 30.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.529 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -77.83 -8.3 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 15.0 112.073 -173.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.463 ' HG3' ' HB2' ' A' ' 434' ' ' GLU . 18.2 mtm180 -81.15 -43.08 19.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.712 -0.395 . . . . 15.0 110.557 -178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.419 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -119.89 7.23 10.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.414 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 17.5 m0 63.44 28.38 15.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.407 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.419 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.3 tp10 -92.04 132.89 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.918 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -115.0 116.05 27.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -136.49 150.17 48.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.084 0.468 . . . . 15.0 111.163 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -82.04 -3.34 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.82 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.87 149.07 32.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 15.0 109.843 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 75.8 tttt -89.83 124.7 63.09 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.471 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.445 ' HB3' ' CD2' ' A' ' 435' ' ' TRP . 16.6 Cg_endo -59.03 149.31 80.51 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.51 2.807 . . . . 15.0 112.577 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -68.42 -18.25 64.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.644 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 15.0 110.681 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.626 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.3 pt-20 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.17 0.51 . . . . 15.0 109.922 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.626 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 80.5 m95 -111.53 122.12 46.99 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.306 173.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -102.87 138.63 39.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.706 -0.479 . . . . 15.0 109.706 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -96.56 136.8 36.57 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.72 0.772 . . . . 15.0 111.619 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -134.13 129.68 36.26 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.21 -1.359 . . . . 15.0 109.25 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 445' ' ' THR . 15.2 ttmm -109.06 140.88 42.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.271 0.558 . . . . 15.0 110.439 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.5 p -89.57 150.76 22.27 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.203 -0.908 . . . . 15.0 109.062 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.4 -34.75 1.36 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -84.84 5.09 30.16 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.284 0.564 . . . . 15.0 111.225 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.74 39.83 10.19 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.743 171.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -102.05 123.64 46.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -103.74 111.29 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.061 0.458 . . . . 15.0 111.795 -178.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.401 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 40.4 p90 -107.33 126.81 52.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.69 176.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.5 121.85 32.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.296 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -106.71 116.49 32.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.361 -0.836 . . . . 15.0 111.206 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -89.89 125.55 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.719 -0.474 . . . . 15.0 109.719 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -80.95 0.95 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 15.0 112.375 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 451' ' ' ARG . 29.8 mtm180 -91.08 -45.26 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 15.0 110.769 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -112.33 4.24 17.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 54.5 m0 60.49 29.41 18.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.266 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -89.48 125.86 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 15.0 111.051 -173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -108.23 117.81 35.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.336 -0.393 . . . . 15.0 109.97 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -122.53 150.09 43.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.495 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 75.3 m95 -91.57 -1.17 57.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.5 . . . . 15.0 110.458 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.96 159.4 14.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.755 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -89.97 122.54 67.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 15.0 111.234 -172.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.27 150.18 81.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 124.394 3.396 . . . . 15.0 113.734 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.1 -25.51 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.107 -0.951 . . . . 15.0 112.298 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.402 ' HG2' ' HG2' ' A' ' 434' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 15.0 111.339 -176.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.777 ' HG2' ' HD1' ' A' ' 435' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.543 -0.54 . . . . 15.0 109.543 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.777 ' HD1' ' HG2' ' A' ' 434' ' ' GLU . 80.2 m95 -121.74 104.97 9.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.633 174.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.1 m -91.94 132.33 36.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.125 -0.694 . . . . 15.0 109.125 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -105.9 134.64 48.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.515 0.674 . . . . 15.0 111.187 -174.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 92.3 m-85 -124.96 133.03 53.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.317 -0.856 . . . . 15.0 109.406 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -104.95 144.05 32.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 15.0 110.656 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.3 p -89.58 150.63 22.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.421 -0.809 . . . . 15.0 109.387 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.59 0.99 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.611 0.967 . . . . 15.0 113.611 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 5.3 p-10 -82.72 -4.81 58.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 15.0 111.001 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 43.86 4.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.811 -0.632 . . . . 15.0 113.883 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.2 mmtm -112.08 119.69 39.28 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.222 -0.658 . . . . 15.0 109.222 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -100.0 128.15 46.12 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.863 0.364 . . . . 15.0 111.031 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 48.9 p90 -115.04 137.46 51.98 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.471 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 35.8 m-85 -97.6 122.63 40.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.449 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -105.21 117.31 33.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.952 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.64 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 25.7 t-20 -89.96 121.96 32.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -81.7 4.37 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.863 -173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -94.69 -49.76 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 15.0 109.997 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -101.96 -2.04 30.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.909 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 62.58 27.63 16.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.483 -0.781 . . . . 15.0 110.516 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.49 140.08 31.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 15.0 111.11 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -107.97 113.45 26.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.075 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 30.4 m -122.78 136.86 55.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.275 -0.42 . . . . 15.0 110.618 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -83.45 -26.26 30.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.089 0.471 . . . . 15.0 110.912 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.64 150.81 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.981 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.3 ttpp -89.72 118.5 69.04 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.26 0.552 . . . . 15.0 111.579 -173.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 31.6 Cg_endo -62.77 150.65 87.46 Favored 'Trans proline' 0 N--CA 1.473 0.295 0 C-N-CA 124.399 3.399 . . . . 15.0 113.259 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.514 ' HA ' HE21 ' A' ' 461' ' ' GLN . 0.0 OUTLIER -57.48 -31.14 65.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.976 -0.557 . . . . 15.0 112.064 178.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.7 pm0 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.833 0.349 . . . . 15.0 111.15 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.6 pt-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.156 0.503 . . . . 15.0 111.357 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.657 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 72.9 m95 -115.05 112.66 22.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.6 m -100.74 143.02 31.39 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.465 -0.569 . . . . 15.0 109.465 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -114.67 139.21 49.84 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.408 0.623 . . . . 15.0 111.399 -174.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.32 131.55 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.365 -0.834 . . . . 15.0 108.956 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 31.5 ttmt -90.67 141.67 28.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 15.0 110.588 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 p -89.61 150.74 22.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.522 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.19 -30.19 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.832 1.049 . . . . 15.0 113.832 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.54 3.39 47.66 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.303 0.573 . . . . 15.0 110.865 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.45 52.0 4.13 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.5 -0.773 . . . . 15.0 113.361 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -126.73 126.68 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.4 p -93.89 107.55 19.44 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.155 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -90.12 135.83 33.42 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.444 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 38.6 m-85 -99.47 122.51 42.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.661 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.1 t80 -110.31 118.85 37.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.159 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 3.3 t-20 -90.7 120.05 31.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.529 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -77.28 -7.52 56.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.803 0.298 . . . . 15.0 111.803 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 32.7 mtm180 -98.08 -17.1 19.29 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.836 -0.346 . . . . 15.0 111.761 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 35.3 p -119.99 -11.62 9.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.769 0.319 . . . . 15.0 110.414 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 63.49 30.15 15.27 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.927 0.87 . . . . 15.0 109.753 -178.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 7.5 tp10 -95.02 129.6 42.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.336 -1.302 . . . . 15.0 110.894 -176.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.44 110.22 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.737 -0.468 . . . . 15.0 109.737 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -125.08 150.15 47.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 15.0 110.927 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -88.99 -0.91 57.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.054 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.52 156.15 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.577 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -89.77 115.49 63.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 15.0 110.306 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.77 150.07 89.29 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.396 2.731 . . . . 15.0 111.526 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -68.8 -26.31 65.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 15.0 110.355 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.114 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 6.0 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.983 0.42 . . . . 15.0 111.191 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.511 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 71.7 m95 -105.87 119.74 39.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.74 -0.664 . . . . 15.0 110.657 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.5 m -107.35 135.8 48.23 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.823 -0.806 . . . . 15.0 108.823 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.6 OUTLIER -108.88 134.1 52.02 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.614 0.721 . . . . 15.0 110.82 -177.164 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.64 124.53 44.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.128 -0.942 . . . . 15.0 109.669 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -107.24 142.16 37.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.224 0.535 . . . . 15.0 110.259 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.8 p -89.45 150.68 22.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.312 -0.858 . . . . 15.0 108.809 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.45 -31.04 0.96 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.327 0.862 . . . . 15.0 113.327 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.09 -4.79 59.17 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.162 0.506 . . . . 15.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 43.68 4.97 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.715 -0.675 . . . . 15.0 113.946 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -99.69 110.58 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.359 -0.978 . . . . 15.0 108.359 166.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -107.88 125.24 51.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.905 0.383 . . . . 15.0 110.385 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.5 p90 -125.67 139.99 53.09 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.934 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.4 m-85 -98.41 122.44 41.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.627 -175.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -108.71 119.42 39.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.885 -173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.91 118.3 29.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 15.0 109.519 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -74.53 -8.52 56.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.635 0.605 . . . . 15.0 112.635 -171.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.508 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 24.0 mtm180 -77.2 -64.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.45 0.643 . . . . 15.0 109.94 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.0 p -102.4 6.65 40.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.25 -0.887 . . . . 15.0 111.964 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 26.1 m0 65.11 30.22 11.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.209 0.528 . . . . 15.0 110.658 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.67 123.4 33.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.459 -172.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.3 m -114.21 124.14 51.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.595 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.4 t -133.7 149.91 51.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.411 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 64.6 m95 -90.94 0.28 57.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.231 0.539 . . . . 15.0 110.305 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -98.09 148.55 23.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -89.69 113.49 57.03 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.536 -0.302 . . . . 15.0 110.247 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.14 142.25 86.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.077 2.518 . . . . 15.0 111.643 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -21.45 29.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 111.475 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.42 177.294 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.849 0.357 . . . . 15.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.58 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 75.2 m95 -126.26 111.22 14.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.736 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.2 m -99.0 139.43 34.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.443 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -101.06 137.81 38.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.431 0.634 . . . . 15.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -136.69 132.13 34.51 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.624 -1.171 . . . . 15.0 109.528 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -106.66 135.64 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.323 0.583 . . . . 15.0 111.179 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 39.3 p -89.69 150.88 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 15.0 109.023 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -36.19 0.23 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.931 1.086 . . . . 15.0 113.931 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.612 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.1 p-10 -82.88 -4.92 58.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.989 -0.444 . . . . 15.0 111.375 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 30.23 13.31 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.9 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.706 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -91.68 123.71 35.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.539 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 p -98.52 106.15 18.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.544 -0.298 . . . . 15.0 111.086 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.483 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.6 p90 -96.67 135.21 38.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -103.09 129.66 50.0 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.46 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -113.26 117.95 33.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.919 -175.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 18.0 t-20 -90.47 128.29 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.571 HD22 ' N ' ' A' ' 450' ' ' ASN . 0.7 OUTLIER -81.8 -4.9 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.711 -172.441 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 451' ' ' ARG . 34.4 mtm-85 -86.88 -52.07 5.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.141 0.496 . . . . 15.0 110.508 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.6 p -99.72 -1.34 38.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.851 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 60.52 29.86 19.32 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.554 0.692 . . . . 15.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.08 125.55 38.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.021 -0.99 . . . . 15.0 110.695 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.7 p -111.41 112.77 24.75 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.014 -0.993 . . . . 15.0 110.045 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -126.31 150.26 48.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.135 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.483 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -85.94 -7.24 58.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 15.0 111.297 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.68 150.9 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.56 -0.533 . . . . 15.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -89.78 110.41 39.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.965 -0.383 . . . . 15.0 109.965 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.3 149.93 61.63 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.685 2.924 . . . . 15.0 113.04 -174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.32 -24.93 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 15.0 111.16 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.6 pm0 . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.757 0.313 . . . . 15.0 110.804 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.502 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 22.0 mm-40 . . . . . 0 C--O 1.237 0.408 0 CA-C-O 121.106 0.479 . . . . 15.0 111.262 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.408 ' HD1' ' CG ' ' A' ' 462' ' ' GLU . 76.3 m95 -110.38 122.49 47.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.734 -0.667 . . . . 15.0 110.356 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -104.42 143.6 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.74 128.95 53.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.652 0.739 . . . . 15.0 111.43 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.88 137.19 47.93 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.489 -1.232 . . . . 15.0 110.185 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -96.35 144.08 26.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.221 0.534 . . . . 15.0 110.918 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.3 p -89.72 150.92 22.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.143 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.78 -30.13 0.23 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.19 -3.68 55.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.171 0.51 . . . . 15.0 111.324 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 49.93 3.17 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.78 -0.645 . . . . 15.0 113.934 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -120.23 125.5 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.4 p -89.93 109.72 20.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.773 0.32 . . . . 15.0 111.404 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -96.42 132.33 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -98.29 118.93 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.135 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -107.6 121.41 44.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.033 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -89.93 116.31 27.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.848 -0.797 . . . . 15.0 108.848 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.77 -2.24 22.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.671 0.607 . . . . 15.0 111.533 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.502 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 30.0 mtm180 -86.08 -63.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 15.0 110.202 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -87.56 -3.79 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.149 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 61.9 30.0 18.01 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 115.613 -0.721 . . . . 15.0 110.021 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.12 146.0 23.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.051 -0.977 . . . . 15.0 110.589 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.2 t -124.39 112.07 16.5 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -130.46 150.4 51.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 15.0 111.144 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -83.46 -4.59 58.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.291 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.05 135.32 43.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.515 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 57.8 tttp -89.82 112.02 49.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.236 0.541 . . . . 15.0 110.062 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.8 Cg_exo -69.6 150.32 69.04 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.967 3.111 . . . . 15.0 112.752 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.73 -30.44 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.431 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.408 ' CG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 pm0 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.362 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.925 0 N-CA-C 112.581 -0.208 . . . . 15.0 112.581 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.27 34.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 15.0 110.364 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.1 t -87.87 29.39 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.441 0.639 . . . . 15.0 109.353 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.7 70.9 0.62 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.798 -1.092 . . . . 15.0 110.295 -173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 97.8 t 71.27 151.58 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 113.776 -1.556 . . . . 15.0 111.453 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 18.5 t 78.76 27.21 0.46 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.901 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 1.1 pm0 -82.66 -10.31 58.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.815 -1.084 . . . . 15.0 109.995 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 76.3 m95 -104.87 116.68 32.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.051 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.2 m -109.71 141.07 42.83 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.088 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.93 135.52 33.68 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 121.817 0.818 . . . . 15.0 110.935 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -129.3 124.16 33.65 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 113.927 -1.488 . . . . 15.0 109.239 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -106.76 142.22 36.74 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.712 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 66.5 p -89.9 150.57 22.13 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.342 -0.984 . . . . 15.0 108.342 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.85 -33.69 2.04 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.829 0.677 . . . . 15.0 112.829 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.7 p-10 -81.35 -5.17 57.56 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.873 0.368 . . . . 15.0 111.417 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.4 44.81 5.17 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 116.049 -0.523 . . . . 15.0 113.678 174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 49.1 mmtm -106.6 127.31 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.164 -0.68 . . . . 15.0 109.164 170.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 22.3 p -102.83 110.01 21.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.583 -0.28 . . . . 15.0 111.672 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.1 p90 -107.88 136.06 48.23 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.047 -0.723 . . . . 15.0 109.047 173.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -96.57 122.46 39.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.154 0.502 . . . . 15.0 110.891 -174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -96.57 122.42 39.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.489 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.5 t-20 -101.98 125.21 48.61 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.459 -0.792 . . . . 15.0 110.45 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.96 -1.24 42.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 15.0 111.965 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 19.5 mtm180 -83.7 -42.72 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.827 -0.349 . . . . 15.0 110.478 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.3 p -120.04 4.9 10.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.927 0.344 . . . . 15.0 111.927 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.6 m0 65.0 29.88 12.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.458 . . . . 15.0 110.495 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -89.57 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.824 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.6 m -124.57 98.75 5.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -124.04 150.2 45.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.864 0.364 . . . . 15.0 111.026 -173.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 69.8 m95 -81.12 -3.19 51.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.197 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -77.31 145.83 37.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.114 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 80.7 tttt -89.81 118.61 69.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.891 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 18.3 Cg_endo -59.81 150.08 79.55 Favored 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.653 2.902 . . . . 15.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 2.2 mp0 -73.98 -22.35 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.678 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 2.0 pm0 -80.57 -2.2 45.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.009 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.891 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 42.1 tp -138.28 8.95 2.71 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.041 0.448 . . . . 15.0 110.798 -176.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.598 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 21.7 ptmt . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.832 -0.604 . . . . 15.0 111.398 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.147 -0.381 . . . . 15.0 112.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -148.03 122.33 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.1 p -87.9 78.85 8.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.859 0.362 . . . . 15.0 110.615 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' ' 463' ' ' LEU . . . 68.36 114.93 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.365 -0.834 . . . . 15.0 110.45 -178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.407 HG12 ' HG3' ' A' ' 462' ' ' GLU . 7.1 p -81.84 46.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.645 1.212 . . . . 15.0 110.793 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 23.9 m 53.32 27.39 6.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.751 -1.568 . . . . 15.0 111.811 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.15 -50.42 2.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.33 -0.85 . . . . 15.0 111.179 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.623 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 86.1 m95 -89.77 118.49 29.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 15.0 110.645 -175.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 5.4 m -105.69 144.36 32.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.86 -0.609 . . . . 15.0 110.136 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -101.21 136.52 40.93 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.44 0.638 . . . . 15.0 110.679 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.6 m-85 -137.61 129.58 28.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.836 -1.074 . . . . 15.0 110.066 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -103.47 138.92 39.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 15.0 110.337 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 34.1 p -89.48 150.73 22.34 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.31 -0.859 . . . . 15.0 109.017 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.58 -30.03 1.37 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.447 0.906 . . . . 15.0 113.447 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -85.74 2.18 46.53 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.22 0.533 . . . . 15.0 110.94 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 77.97 62.17 2.4 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.564 -0.744 . . . . 15.0 113.403 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.479 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.5 mmtm -126.73 122.93 36.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 170.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 438' ' ' TYR . 6.4 p -98.24 116.25 30.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.888 0.375 . . . . 15.0 111.281 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -113.19 136.97 52.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.648 176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 455' ' ' SER . 71.0 m-85 -96.89 127.21 42.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.225 -0.443 . . . . 15.0 109.929 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 83.6 t80 -107.89 124.76 50.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.259 -0.428 . . . . 15.0 111.208 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.623 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 26.3 t-20 -105.16 135.06 47.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.54 -0.755 . . . . 15.0 110.325 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -93.44 -5.11 50.05 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.353 0.408 . . . . 15.0 111.58 -173.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -78.98 -51.17 9.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.324 0.583 . . . . 15.0 109.947 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.9 p -110.49 0.37 17.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.584 -0.734 . . . . 15.0 112.02 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 50.0 m0 64.35 30.02 13.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.492 0.663 . . . . 15.0 110.048 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.23 131.63 35.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.192 -0.913 . . . . 15.0 110.518 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 9.8 m -121.8 102.1 7.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.936 -0.574 . . . . 15.0 109.481 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -118.06 150.16 39.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.027 0.441 . . . . 15.0 110.975 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 57.7 m95 -87.23 -6.86 58.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.701 -0.681 . . . . 15.0 109.728 177.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -91.08 165.02 13.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.514 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 52.7 mtpt -89.78 123.32 66.66 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.095 0.474 . . . . 15.0 111.626 -178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.648 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 18.7 Cg_endo -60.16 150.17 80.87 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.676 2.918 . . . . 15.0 112.474 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.9 -19.38 65.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.418 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.433 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.6 pm0 -89.05 5.85 42.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.586 175.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.648 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 36.6 tp -113.2 8.87 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.492 -0.929 . . . . 15.0 108.492 173.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.247 0.943 0 CA-C-N 114.452 -1.249 . . . . 15.0 110.203 -174.008 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.859 -0.496 . . . . 15.0 111.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -139.25 93.28 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 15.0 110.668 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 12.6 m -82.66 73.54 9.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.061 0.458 . . . . 15.0 110.178 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.1 87.98 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.087 -0.96 . . . . 15.0 111.93 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.8 m -81.2 48.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.822 0.82 . . . . 15.0 110.674 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 57.0 m 56.67 26.68 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.303 -1.317 . . . . 15.0 111.403 -174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 4.4 tp10 -98.64 -62.71 1.2 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.695 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 92.7 m95 -107.32 115.04 29.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.286 -0.87 . . . . 15.0 109.799 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.7 m -105.41 142.54 34.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.693 -0.484 . . . . 15.0 109.693 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.483 ' OE2' HG22 ' A' ' 445' ' ' THR . 11.6 tm-20 -89.85 133.37 34.77 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 122.165 0.983 . . . . 15.0 109.756 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.7 125.78 36.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.701 -1.591 . . . . 15.0 109.128 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -103.58 144.23 31.7 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.965 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.8 p -89.67 150.92 22.13 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.769 -1.105 . . . . 15.0 109.022 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.98 -29.71 0.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.517 0.562 . . . . 15.0 112.517 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -9.42 59.38 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.08 0.4 . . . . 15.0 112.08 178.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.0 35.55 7.61 Favored Glycine 0 CA--C 1.516 0.143 0 CA-C-N 116.268 -0.424 . . . . 15.0 113.978 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -102.19 131.3 48.8 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.76 -0.459 . . . . 15.0 109.76 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.483 HG22 ' OE2' ' A' ' 437' ' ' GLU . 18.8 p -91.97 111.5 23.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.332 -0.395 . . . . 15.0 111.73 -177.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 45.2 p90 -115.3 122.78 46.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.552 0.691 . . . . 15.0 109.723 174.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 455' ' ' SER . 2.3 m-85 -90.06 118.76 29.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.315 -0.857 . . . . 15.0 110.14 -174.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -101.94 123.39 45.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.407 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.592 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 22.6 t-20 -106.04 130.49 53.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.016 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -84.29 1.45 44.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.709 0.633 . . . . 15.0 112.709 -172.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -81.28 -58.36 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.588 -0.523 . . . . 15.0 109.588 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 18.5 p -101.84 3.03 38.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.146 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 59.79 29.58 19.15 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.53 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -96.33 139.59 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.641 -0.709 . . . . 15.0 110.967 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.601 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.6 m -112.23 105.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.847 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -101.9 142.67 32.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.043 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -92.28 19.46 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 15.0 111.048 -176.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 9.0 tp10 -149.61 163.53 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 34.1 mtmm -90.01 115.65 64.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.307 0.575 . . . . 15.0 112.396 -171.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 435' ' ' TRP . 24.4 Cg_exo -66.27 150.53 84.69 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.766 3.644 . . . . 15.0 112.138 173.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -51.1 -21.17 1.76 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.444 0.905 . . . . 15.0 113.444 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.695 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 0.4 OUTLIER -78.21 2.91 16.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.288 0.566 . . . . 15.0 111.13 178.281 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 459' ' ' LYS . 33.7 tp -114.15 6.1 16.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.023 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 48.1 tptt . . . . . 0 C--O 1.247 0.929 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.729 -179.25 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.288 -0.325 . . . . 15.0 112.288 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 68.27 80.22 0.2 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.644 0.735 . . . . 15.0 111.106 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.2 m -110.4 29.45 7.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.939 -1.028 . . . . 15.0 109.762 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' ' 432' ' ' VAL . . . 62.46 78.72 0.28 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.277 -0.874 . . . . 15.0 110.131 -172.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 431' ' ' ALA . 3.0 m 55.25 174.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.172 1.389 . . . . 15.0 112.189 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.2 m 79.54 27.93 0.35 Allowed 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 113.177 -1.829 . . . . 15.0 110.263 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.858 ' HG3' HH11 ' A' ' 451' ' ' ARG . 9.6 mm-40 -90.6 -16.26 29.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.971 -1.013 . . . . 15.0 109.473 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 77.5 m95 -95.92 116.49 29.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.698 -1.137 . . . . 15.0 110.114 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.0 m -104.08 145.45 30.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.184 -0.462 . . . . 15.0 109.893 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -99.0 135.27 40.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.748 0.785 . . . . 15.0 110.574 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -130.81 127.36 38.49 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.202 -1.363 . . . . 15.0 109.895 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -103.08 145.92 29.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.141 -0.481 . . . . 15.0 109.923 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 59.6 p -89.63 150.66 22.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.2 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.69 -30.32 0.91 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.704 0.631 . . . . 15.0 112.704 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -84.53 -7.79 59.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.833 0.349 . . . . 15.0 111.73 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.486 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.21 45.32 4.45 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 116.373 -0.376 . . . . 15.0 113.929 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 443' ' ' GLY . 0.7 OUTLIER -115.67 131.66 56.87 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 170.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.8 p -101.03 127.05 47.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.893 0.331 . . . . 15.0 111.893 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.427 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 46.9 p90 -120.9 140.32 51.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 173.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.68 127.91 42.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.112 0.482 . . . . 15.0 110.779 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -113.14 118.86 35.9 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.387 -0.824 . . . . 15.0 110.69 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.549 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 6.7 t-20 -90.04 117.9 29.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.052 -0.522 . . . . 15.0 109.854 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -73.53 -6.96 49.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.145 -0.48 . . . . 15.0 111.619 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.858 HH11 ' HG3' ' A' ' 434' ' ' GLU . 29.1 mtm-85 -83.87 -35.85 23.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.932 0.396 . . . . 15.0 110.942 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -120.1 -4.87 10.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.796 -174.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 15.3 m0 63.3 29.65 15.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.413 0.625 . . . . 15.0 109.821 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.95 138.54 31.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 15.0 110.318 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -127.23 119.4 26.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.945 -0.391 . . . . 15.0 109.945 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.0 t -136.63 150.12 48.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.922 0.392 . . . . 15.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.427 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 61.8 m95 -84.98 -0.32 53.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.264 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -93.74 158.55 15.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.84 -0.618 . . . . 15.0 109.848 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 463' ' ' LEU . 47.4 tttp -89.79 123.62 65.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 15.0 110.966 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.668 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_endo -64.11 145.81 89.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.501 2.8 . . . . 15.0 112.674 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.72 -17.68 63.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.796 -0.638 . . . . 15.0 112.536 -176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.8 pt-20 -86.23 -1.88 57.87 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.325 0.583 . . . . 15.0 110.191 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 31.6 tp -130.28 15.08 5.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.544 -0.753 . . . . 15.0 109.508 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp . . . . . 0 C--O 1.253 1.28 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.414 -178.253 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.42 -0.672 . . . . 15.0 111.42 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -133.46 150.8 51.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.937 0.368 . . . . 15.0 110.922 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 6.0 m 69.4 -2.86 1.75 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 122.072 0.939 . . . . 15.0 111.455 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -155.6 97.47 1.86 Allowed 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.692 -1.14 . . . . 15.0 108.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 38.9 t -136.27 139.66 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.843 0.354 . . . . 15.0 111.043 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.8 m 69.09 33.36 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 15.0 112.511 172.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.587 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 13.3 mt-10 -90.69 -11.4 39.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.672 -0.862 . . . . 15.0 108.672 170.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.681 ' CD2' ' HB2' ' A' ' 449' ' ' ASN . 67.8 m95 -94.95 105.17 17.07 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.302 -1.317 . . . . 15.0 108.318 169.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.438 ' HB ' ' CE2' ' A' ' 438' ' ' TYR . 1.8 m -90.1 137.92 31.95 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.99 129.17 36.35 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.804 0.811 . . . . 15.0 110.171 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.438 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 81.7 m-85 -129.95 123.45 30.71 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.146 -1.388 . . . . 15.0 110.243 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 440' ' ' THR . 31.7 ttpt -101.72 141.64 34.27 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.897 -0.592 . . . . 15.0 110.161 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 439' ' ' LYS . 49.3 p -89.47 150.45 22.48 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.33 -0.989 . . . . 15.0 108.33 173.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.03 -38.2 1.57 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.325 0.861 . . . . 15.0 113.325 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -79.02 -5.64 54.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.163 0.506 . . . . 15.0 111.506 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.08 58.57 1.67 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.893 -0.594 . . . . 15.0 113.659 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -123.3 117.35 25.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 170.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.0 p -95.98 118.38 32.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.285 -0.416 . . . . 15.0 111.681 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -115.17 144.5 43.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.39 -0.596 . . . . 15.0 109.39 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -101.12 123.4 45.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.175 -0.466 . . . . 15.0 109.92 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.4 t80 -115.34 117.14 29.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.131 -173.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 5.9 t-20 -89.9 120.61 31.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -74.75 -9.13 58.26 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.703 -176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.587 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 44.0 mtm-85 -80.21 -34.49 37.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.902 0.382 . . . . 15.0 110.9 178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.7 p -119.91 -7.71 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.422 -174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m0 62.82 29.85 16.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.608 0.718 . . . . 15.0 109.605 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 5.1 tp10 -89.88 139.99 30.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.691 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.4 m -121.91 125.14 45.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.849 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.6 t -142.65 150.1 39.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.69 0.281 . . . . 15.0 110.577 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -85.79 -7.01 59.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 15.0 110.509 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.88 160.71 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.236 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -89.66 125.28 61.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.314 0.578 . . . . 15.0 110.85 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.441 ' HG3' ' CB ' ' A' ' 435' ' ' TRP . 30.2 Cg_endo -63.1 150.14 89.47 Favored 'Trans proline' 0 C--N 1.335 -0.132 0 C-N-CA 123.83 3.02 . . . . 15.0 112.916 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -49.89 -28.4 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.166 -0.924 . . . . 15.0 112.45 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.484 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 12.4 pt-20 -90.48 -0.38 57.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.96 0.356 . . . . 15.0 111.96 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.412 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 32.8 tp -121.94 4.67 9.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 15.0 110.668 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.417 ' OXT' ' HG3' ' A' ' 464' ' ' LYS . 6.8 ptmm? . . . . . 0 C--O 1.244 0.773 0 CA-C-O 117.971 -1.014 . . . . 15.0 110.718 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.768 -0.533 . . . . 15.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -120.47 121.1 37.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.127 -0.324 . . . . 15.0 110.127 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.6 p -134.6 0.89 3.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.289 0.566 . . . . 15.0 111.55 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.704 ' HB3' HH11 ' A' ' 451' ' ' ARG . . . -158.99 81.48 0.78 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.236 -0.893 . . . . 15.0 110.013 176.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 433' ' ' SER . 86.8 t -85.81 133.51 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.537 0 CA-C-N 115.462 -0.79 . . . . 15.0 109.194 -175.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 75.2 m 80.96 22.43 0.36 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 113.031 -1.895 . . . . 15.0 110.191 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 431' ' ' ALA . 0.4 OUTLIER -83.22 -28.06 29.51 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.681 -1.599 . . . . 15.0 107.445 171.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.685 ' HB3' HD22 ' A' ' 463' ' ' LEU . 41.2 m95 -96.5 145.98 25.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 113.888 -1.505 . . . . 15.0 109.364 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.1 m -143.83 141.65 30.46 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.436 -0.579 . . . . 15.0 109.436 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.759 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -106.36 139.6 40.6 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.431 0.634 . . . . 15.0 110.375 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -126.28 127.14 45.14 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.914 -1.039 . . . . 15.0 109.441 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -89.99 138.16 31.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.484 0.659 . . . . 15.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 49.4 p -89.43 150.84 22.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.771 -1.104 . . . . 15.0 108.717 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.13 -29.9 0.13 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.615 0.969 . . . . 15.0 113.615 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 6.5 p-10 -90.52 0.32 57.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 15.0 111.363 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.468 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 86.83 38.39 8.06 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.005 -0.543 . . . . 15.0 114.18 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 1.1 mmpp? -104.49 120.07 40.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 15.0 109.415 172.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 7.1 p -98.54 104.31 16.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.74 0.305 . . . . 15.0 111.376 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -94.94 138.44 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.759 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 58.5 m-85 -97.59 117.44 31.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.499 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 70.3 t80 -105.66 131.86 52.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.371 -173.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 435' ' ' TRP . 18.4 t-20 -116.86 134.5 54.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.978 174.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -88.75 -15.45 34.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.553 0.216 . . . . 15.0 111.552 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.704 HH11 ' HB3' ' A' ' 431' ' ' ALA . 19.6 mtm180 -69.42 -45.12 69.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.074 0.464 . . . . 15.0 110.794 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 454' ' ' GLU . 11.8 t -120.1 6.09 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.032 -0.531 . . . . 15.0 111.417 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.7 m95 63.25 30.31 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.11 0.481 . . . . 15.0 111.007 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HB2' HG23 ' A' ' 452' ' ' THR . 8.7 tp10 -89.42 129.94 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.911 -172.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.97 99.97 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.015 -0.735 . . . . 15.0 109.015 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.0 t -120.26 150.33 40.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 15.0 110.856 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -88.1 0.63 55.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 10.1 tp10 -95.57 134.15 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.613 177.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 63.0 tttp -92.09 109.55 38.25 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 15.0 110.659 -176.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.4 Cg_exo -65.13 150.17 88.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.579 2.852 . . . . 15.0 112.689 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.434 ' OE1' ' HD3' ' A' ' 464' ' ' LYS . 4.8 tp-100 -68.07 -14.47 63.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.47 0.653 . . . . 15.0 110.118 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.406 ' HG3' HG22 ' A' ' 432' ' ' VAL . 41.0 tt0 -89.1 2.26 54.37 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.033 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 435' ' ' TRP . 42.1 tp -130.5 23.06 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.318 -0.856 . . . . 15.0 110.427 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.434 ' HD3' ' OE1' ' A' ' 461' ' ' GLN . 52.9 pttt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.261 -0.876 . . . . 15.0 110.885 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.11 -0.396 . . . . 15.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -80.93 97.43 7.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.975 0.417 . . . . 15.0 110.474 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 15.1 m -84.24 116.1 22.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.318 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 62.97 84.66 0.14 Allowed 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.926 0.766 . . . . 15.0 111.019 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.855 HG12 ' H ' ' A' ' 433' ' ' SER . 3.4 t -82.08 -177.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 -178.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.855 ' H ' HG12 ' A' ' 432' ' ' VAL . 36.3 m 66.52 24.94 10.18 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.711 -1.131 . . . . 15.0 108.719 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.692 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 0.5 OUTLIER -91.11 -21.59 21.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.824 -1.535 . . . . 15.0 110.698 -175.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.692 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 85.9 m95 -104.63 116.71 32.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 15.0 110.367 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.2 m -102.53 145.27 29.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.903 -0.589 . . . . 15.0 109.938 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.97 135.77 39.9 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.02 0.914 . . . . 15.0 110.874 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -132.85 126.19 31.68 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 113.66 -1.609 . . . . 15.0 108.393 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 3.1 ttmp? -113.59 146.4 39.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.408 0.623 . . . . 15.0 110.998 -173.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.5 p -89.76 150.65 22.19 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.089 -0.959 . . . . 15.0 108.935 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.48 -32.84 0.97 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.243 0.831 . . . . 15.0 113.243 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.26 -3.03 57.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.137 0.494 . . . . 15.0 111.255 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.01 42.88 5.83 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.628 -0.715 . . . . 15.0 113.828 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.879 ' HE2' ' HA ' ' A' ' 444' ' ' LYS . 7.8 mmpt? -107.06 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.477 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 47.2 p -99.16 113.33 25.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.334 -0.394 . . . . 15.0 111.777 -175.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.46 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.9 p90 -102.1 125.04 48.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 171.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -90.01 126.87 35.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.314 -174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -109.77 118.01 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.634 -0.712 . . . . 15.0 110.923 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.4 t-20 -91.33 121.82 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.977 -0.556 . . . . 15.0 109.886 177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -80.6 -6.01 57.68 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.955 0.354 . . . . 15.0 111.955 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.644 ' CZ ' ' HG3' ' A' ' 434' ' ' GLU . 24.5 mtm180 -75.49 -46.85 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.637 -0.425 . . . . 15.0 110.812 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.2 t -120.22 10.57 11.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.57 -0.287 . . . . 15.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.33 29.97 19.44 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.9 0.381 . . . . 15.0 111.682 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.16 135.12 33.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.323 0.582 . . . . 15.0 111.33 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.1 p -110.83 108.23 17.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.663 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.541 -0.3 . . . . 15.0 110.96 -173.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.46 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -90.98 -17.18 26.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.36 169.23 18.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 63.6 tttt -108.46 107.84 60.48 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.333 -0.547 . . . . 15.0 110.643 -178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.553 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 14.1 Cg_endo -56.25 145.1 79.03 Favored 'Trans proline' 0 N--CA 1.473 0.322 0 C-N-CA 123.957 3.104 . . . . 15.0 112.488 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.12 -28.59 69.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.053 0.39 . . . . 15.0 112.053 -176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.8 pm0 -67.96 -18.72 64.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.658 0.266 . . . . 15.0 111.648 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.561 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 37.9 tp -129.54 1.22 5.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.902 0.382 . . . . 15.0 111.174 -175.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.458 ' HA ' ' CD ' ' A' ' 459' ' ' LYS . 15.9 ttpp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.701 -0.666 . . . . 15.0 110.632 -174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 112.131 -0.387 . . . . 15.0 112.131 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.63 86.76 3.93 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.32 0.581 . . . . 15.0 110.765 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 37.8 p -91.09 -14.03 32.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.193 0.996 . . . . 15.0 109.966 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . 179.38 107.75 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 112.713 -2.04 . . . . 15.0 108.612 -177.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 92.7 t 78.06 139.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 123.74 0.65 . . . . 15.0 110.804 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 33.9 t 78.31 22.15 0.78 Allowed 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.815 -1.084 . . . . 15.0 109.868 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.619 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -89.36 -18.49 26.76 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.415 -1.266 . . . . 15.0 109.599 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 87.4 m95 -108.85 106.51 16.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.1 -0.954 . . . . 15.0 109.653 174.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.4 m -90.15 140.6 29.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.489 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -102.56 133.95 46.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 15.0 111.393 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -136.85 125.15 23.23 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.227 -1.351 . . . . 15.0 109.503 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -101.96 142.05 33.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 15.0 110.275 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 60.3 p -89.73 150.63 22.22 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.03 -31.68 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.341 0.867 . . . . 15.0 113.341 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 9.6 p-10 -84.29 -0.47 52.53 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.275 0.56 . . . . 15.0 111.299 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.94 39.36 6.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.737 -0.665 . . . . 15.0 113.943 173.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.451 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.8 mmtm -106.57 120.76 42.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.0 p -98.45 107.04 19.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.577 0.227 . . . . 15.0 111.239 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.6 p90 -100.47 135.82 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.367 -0.605 . . . . 15.0 109.367 175.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -94.94 126.07 40.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.156 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 89.4 t80 -106.61 117.07 33.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.493 -0.776 . . . . 15.0 110.43 -176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CH2' ' A' ' 435' ' ' TRP . 4.7 t-20 -89.84 116.31 27.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -70.71 -8.08 49.44 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.706 0.629 . . . . 15.0 111.188 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.619 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 24.0 mtm180 -83.98 -35.71 23.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.17 -178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.7 p -120.08 -6.48 9.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.499 -0.319 . . . . 15.0 111.564 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 38.2 m0 65.1 29.84 11.85 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.827 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 9.6 tp10 -90.67 143.73 26.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.534 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.0 m -126.3 106.21 9.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 15.0 110.213 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 13.4 t -125.09 150.24 47.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.976 0.417 . . . . 15.0 110.884 -177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 38.9 m95 -90.44 -1.14 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.129 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.446 ' HG2' ' OG1' ' A' ' 456' ' ' THR . 11.3 pt-20 -97.56 168.34 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.235 -0.283 . . . . 15.0 110.235 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.799 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 35.9 ttmt -90.1 122.79 67.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 15.0 111.417 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.512 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 17.7 Cg_endo -63.49 149.93 89.81 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.421 2.747 . . . . 15.0 112.526 172.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.34 -27.83 68.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.608 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.415 ' HG3' ' HD1' ' A' ' 435' ' ' TRP . 1.7 pm0 -79.31 -6.74 57.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.044 -0.525 . . . . 15.0 111.754 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.512 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 26.5 tp -121.22 19.72 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.92 0.39 . . . . 15.0 110.383 -177.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.799 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.612 -0.722 . . . . 15.0 111.907 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.736 -0.546 . . . . 15.0 111.736 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -140.08 86.97 2.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.218 0.532 . . . . 15.0 110.639 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 17.2 p -101.69 -3.11 28.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.384 0.611 . . . . 15.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 178.91 103.98 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.419 -1.264 . . . . 15.0 109.445 -177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 58.6 t -137.95 148.65 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 15.0 110.366 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 65.1 p 60.66 29.86 19.31 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.457 1.103 . . . . 15.0 112.581 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.93 ' HG3' HH11 ' A' ' 451' ' ' ARG . 5.4 mm-40 -84.84 -13.63 50.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 15.0 109.74 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 71.3 m95 -95.82 116.71 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.915 -1.039 . . . . 15.0 109.756 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -103.02 145.53 29.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.574 -0.528 . . . . 15.0 109.574 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 438' ' ' TYR . 3.5 tt0 -89.99 142.23 27.9 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.878 0.847 . . . . 15.0 111.162 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.489 ' N ' ' HG2' ' A' ' 437' ' ' GLU . 80.8 m-85 -134.77 124.91 25.92 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.784 -1.553 . . . . 15.0 108.524 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -114.68 139.2 49.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.101 0.477 . . . . 15.0 110.467 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 33.9 p -89.58 150.95 22.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.283 -0.872 . . . . 15.0 109.505 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -37.95 -40.48 0.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.229 1.196 . . . . 15.0 114.229 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -83.61 4.44 28.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.354 0.597 . . . . 15.0 111.464 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.69 49.31 5.46 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.316 -0.856 . . . . 15.0 113.89 172.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -112.98 127.55 56.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 25.2 p -100.83 117.66 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.979 0.419 . . . . 15.0 111.694 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.453 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 43.8 p90 -110.62 127.59 55.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.737 -0.838 . . . . 15.0 108.737 172.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -98.08 126.85 43.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.813 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -107.76 118.19 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.18 -0.918 . . . . 15.0 111.315 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.1 t-20 -90.08 124.84 35.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.395 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -79.7 -3.36 47.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.568 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.93 HH11 ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -87.26 -50.24 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.137 0.494 . . . . 15.0 110.52 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 40.9 p -106.63 1.87 25.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.073 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 14.8 m0 61.84 28.15 17.21 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.616 -0.72 . . . . 15.0 110.611 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.43 126.49 36.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 15.0 111.051 -172.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.5 m -107.09 112.02 24.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.251 -0.431 . . . . 15.0 109.846 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -120.68 150.1 41.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 110.804 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.453 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.8 m95 -86.58 0.15 54.99 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.194 0.521 . . . . 15.0 110.35 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -90.69 155.6 18.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.153 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -89.92 114.07 59.42 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.425 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HG2' ' CB ' ' A' ' 463' ' ' LEU . 13.1 Cg_endo -56.96 146.38 80.22 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.888 3.058 . . . . 15.0 114.1 -175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 14.1 mm100 -69.36 -19.71 63.84 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.119 -0.946 . . . . 15.0 112.135 -177.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.485 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 13.0 pt-20 -93.25 1.84 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.288 0.566 . . . . 15.0 110.177 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.504 ' CB ' ' HG2' ' A' ' 460' ' ' PRO . 40.4 tp -108.29 10.11 27.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.582 -0.736 . . . . 15.0 109.751 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 461' ' ' GLN . 2.2 pptp? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.692 -0.671 . . . . 15.0 110.09 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.823 -0.511 . . . . 15.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -156.44 125.23 5.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.817 0.341 . . . . 15.0 110.93 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 10.9 t -101.19 6.54 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.469 0.652 . . . . 15.0 109.311 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.661 ' HB2' HD13 ' A' ' 463' ' ' LEU . . . -158.95 118.04 3.01 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.453 -1.314 . . . . 15.0 107.453 -178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.39 53.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 O-C-N 123.598 0.561 . . . . 15.0 111.839 -174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.6 m 49.47 26.0 1.54 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.039 -0.982 . . . . 15.0 112.332 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.717 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 8.1 pt-20 -111.31 -23.59 10.72 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.313 -0.858 . . . . 15.0 111.284 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.604 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 97.4 m95 -128.37 107.75 10.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.019 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 142.56 33.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.024 -0.534 . . . . 15.0 109.995 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.11 136.96 38.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.394 0.616 . . . . 15.0 111.013 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.67 124.17 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.629 -1.169 . . . . 15.0 110.005 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.83 140.21 30.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.174 0.511 . . . . 15.0 110.637 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.3 p -89.65 151.0 22.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.012 . . . . 15.0 108.854 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -40.47 -35.03 0.4 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.22 -5.43 59.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.173 0.511 . . . . 15.0 111.247 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 45.43 4.5 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.698 -0.683 . . . . 15.0 113.551 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -109.75 119.45 39.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 p -92.7 105.09 17.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.702 0.287 . . . . 15.0 111.124 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -93.89 131.72 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.564 -0.532 . . . . 15.0 109.564 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -95.13 120.49 35.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.987 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -107.68 121.63 45.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.859 -171.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.717 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.6 t-20 -92.15 118.3 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.667 -0.494 . . . . 15.0 109.667 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -81.66 0.46 38.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.646 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 451' ' ' ARG . 24.5 mtm180 -87.76 -46.67 9.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.88 0.372 . . . . 15.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 453' ' ' TRP . 25.0 p -108.92 -4.31 16.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.317 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 452' ' ' THR . 11.2 m0 67.16 30.41 7.29 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.468 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.32 134.58 34.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.419 -0.81 . . . . 15.0 110.403 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 p -118.82 110.61 17.41 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.624 -177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -113.99 150.12 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 15.0 110.886 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -95.61 -5.71 41.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.194 0.521 . . . . 15.0 110.271 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.24 152.42 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.706 -0.85 . . . . 15.0 108.706 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -89.42 112.54 52.12 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 74.8 Cg_exo -51.92 150.08 18.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.987 3.125 . . . . 15.0 113.311 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -66.24 -22.6 66.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.799 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.604 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -78.37 -1.06 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.675 174.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 431' ' ' ALA . 56.0 tp -136.28 6.53 3.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.923 -175.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 63.1 mttm . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.193 -0.908 . . . . 15.0 110.895 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 462' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.812 -0.515 . . . . 15.0 111.812 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -121.48 149.61 42.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.143 -0.317 . . . . 15.0 110.143 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.1 m 74.24 -0.1 3.45 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.748 0.785 . . . . 15.0 110.295 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -179.56 122.03 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.524 -1.216 . . . . 15.0 108.772 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.84 147.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 121.049 -0.26 . . . . 15.0 110.741 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.4 t 66.48 22.87 10.59 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.724 0.773 . . . . 15.0 111.214 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.39 -21.48 33.02 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.613 -1.176 . . . . 15.0 110.068 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.609 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 67.2 m95 -113.15 112.47 23.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.174 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.1 m -92.03 140.17 29.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.234 -0.654 . . . . 15.0 109.234 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -93.18 133.86 35.95 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.791 0.805 . . . . 15.0 111.128 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -135.61 124.39 23.93 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.945 -1.48 . . . . 15.0 108.773 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 26.7 ttmt -99.09 143.19 29.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.391 0.615 . . . . 15.0 111.069 -176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.0 p -89.64 150.78 22.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.105 174.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.84 -34.53 1.63 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.175 0.806 . . . . 15.0 113.175 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -78.77 -4.43 49.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.041 0.448 . . . . 15.0 111.397 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.96 37.48 7.24 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.945 -0.57 . . . . 15.0 113.283 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.856 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -109.59 125.22 52.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.867 -0.42 . . . . 15.0 109.867 173.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 36.2 p -92.34 107.47 19.24 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.234 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -93.34 126.62 38.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 459' ' ' LYS . 27.3 m-85 -90.42 123.92 34.53 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.217 0.532 . . . . 15.0 110.324 -174.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.23 115.47 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.507 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.609 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 18.8 t-20 -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.362 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -78.53 -3.51 44.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.416 -0.811 . . . . 15.0 112.06 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.467 ' HB2' ' OD1' ' A' ' 449' ' ' ASN . 22.0 mtm180 -81.0 -63.31 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 15.0 110.081 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 29.3 p -104.66 7.63 34.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.242 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 13.2 m0 63.05 30.49 16.24 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.658 0.742 . . . . 15.0 110.472 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -89.85 127.71 36.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.893 -1.049 . . . . 15.0 110.519 -172.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.4 m -115.29 117.52 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.795 0.331 . . . . 15.0 110.747 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.2 t -138.58 150.37 46.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.142 0.496 . . . . 15.0 110.842 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -80.3 -4.33 52.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.696 -0.684 . . . . 15.0 110.249 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD2' ' A' ' 447' ' ' TYR . 33.5 mt-10 -79.93 151.5 30.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 20.4 tptm -91.82 112.8 56.45 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.726 0.298 . . . . 15.0 110.405 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.572 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 37.1 Cg_endo -67.18 150.05 81.83 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.133 2.555 . . . . 15.0 112.466 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.12 -28.81 69.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.965 0.412 . . . . 15.0 111.249 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.513 ' HA ' ' HA3' ' A' ' 428' ' ' GLY . 2.4 pm0 -77.42 -4.51 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.695 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.572 ' HB3' ' HG2' ' A' ' 460' ' ' PRO . 23.6 tp -129.5 4.66 5.12 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.895 -0.409 . . . . 15.0 109.895 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.283 -0.865 . . . . 15.0 110.587 -176.467 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.053 -0.419 . . . . 15.0 112.053 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -146.1 105.77 3.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.688 0.28 . . . . 15.0 110.689 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.7 p -86.66 5.18 37.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.478 0.656 . . . . 15.0 110.615 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -171.07 123.52 0.6 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 107.6 -1.259 . . . . 15.0 107.6 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 433' ' ' SER . 40.0 t -114.14 135.2 54.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.817 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 432' ' ' VAL . 49.9 m 80.41 26.65 0.29 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.431 1.082 . . . . 15.0 110.761 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.559 ' HG3' ' HD3' ' A' ' 451' ' ' ARG . 9.5 mm-40 -88.4 -25.1 22.85 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.688 -1.142 . . . . 15.0 110.874 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.635 ' CD2' ' HG3' ' A' ' 460' ' ' PRO . 68.1 m95 -101.89 129.38 48.12 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.6 -176.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.9 m -129.39 142.37 50.82 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.194 -0.669 . . . . 15.0 109.194 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.73 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -106.49 137.87 43.69 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.588 0.708 . . . . 15.0 110.408 177.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -121.32 132.25 54.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.857 -1.065 . . . . 15.0 109.584 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -93.14 139.72 30.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.229 0.538 . . . . 15.0 110.73 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.8 p -89.6 150.8 22.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.101 -0.954 . . . . 15.0 108.453 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.6 -33.66 0.74 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.678 0.992 . . . . 15.0 113.678 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.34 -5.65 59.3 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.026 0.441 . . . . 15.0 111.363 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.71 59.72 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.754 -0.657 . . . . 15.0 113.765 175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -126.12 124.82 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.301 -0.629 . . . . 15.0 109.301 172.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 17.7 p -101.96 104.04 14.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.593 0.235 . . . . 15.0 111.356 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -93.61 138.58 31.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.185 -0.672 . . . . 15.0 109.185 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.73 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 50.5 m-85 -98.18 120.87 39.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.331 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -108.93 130.35 55.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.723 -0.672 . . . . 15.0 111.408 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.545 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 4.0 t-20 -107.53 125.66 51.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 15.0 110.024 175.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -80.4 -7.62 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.516 -0.311 . . . . 15.0 111.451 -177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.559 ' HD3' ' HG3' ' A' ' 434' ' ' GLU . 35.6 mtm-85 -78.3 -48.49 15.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.335 . . . . 15.0 111.17 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 23.3 p -116.51 6.25 13.5 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.15 0.426 . . . . 15.0 112.15 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 31.0 m0 63.18 29.97 16.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.143 0.497 . . . . 15.0 110.014 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.61 136.2 33.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.586 -0.734 . . . . 15.0 110.816 -172.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.8 m -123.93 113.03 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -134.64 150.38 50.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.187 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -85.52 3.53 40.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 15.0 110.323 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.82 131.71 36.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -89.72 116.56 66.66 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.004 0.431 . . . . 15.0 110.761 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 61.0 Cg_endo -70.27 150.23 64.8 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.692 2.928 . . . . 15.0 112.72 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -60.18 -26.48 66.36 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.508 0.558 . . . . 15.0 112.508 -176.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.504 ' CD ' ' HD1' ' A' ' 435' ' ' TRP . 6.2 pt-20 -76.56 -11.36 59.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.113 0.483 . . . . 15.0 110.621 -179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 435' ' ' TRP . 38.0 tp -115.92 14.96 16.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 15.0 109.927 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 460' ' ' PRO . 57.1 mtpt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.378 -0.82 . . . . 15.0 110.252 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.028 -0.429 . . . . 15.0 112.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 69.9 144.14 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.501 0.72 . . . . 15.0 111.28 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 5.4 m 71.01 2.29 4.17 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 122.006 0.908 . . . . 15.0 109.961 -175.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -162.96 113.71 1.44 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.643 -1.162 . . . . 15.0 109.363 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.24 143.2 22.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.294 -0.632 . . . . 15.0 109.294 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.624 ' HA ' ' OE1' ' A' ' 462' ' ' GLU . 50.5 m 62.25 31.86 17.36 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.382 0.611 . . . . 15.0 109.849 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.542 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 8.1 pt-20 -77.86 -9.77 59.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.318 -0.855 . . . . 15.0 110.544 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 64.7 m95 -105.39 114.09 28.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 15.0 109.697 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.2 m -96.99 143.77 27.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 15.0 109.964 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -92.82 132.0 37.37 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 121.856 0.836 . . . . 15.0 111.208 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.17 124.48 26.09 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.62 -1.627 . . . . 15.0 109.21 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.481 ' HE3' ' CG2' ' A' ' 445' ' ' THR . 3.2 ttmp? -116.59 142.55 46.75 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.848 -174.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 25.8 p -89.65 150.51 22.33 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.564 -0.902 . . . . 15.0 108.564 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.15 -38.3 2.39 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.267 0.84 . . . . 15.0 113.267 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.6 p-10 -73.46 -7.77 53.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.018 0.437 . . . . 15.0 111.254 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.434 ' O ' ' HE3' ' A' ' 444' ' ' LYS . . . 90.12 42.72 5.21 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.711 -0.677 . . . . 15.0 113.701 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.563 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 0.0 OUTLIER -101.67 119.26 38.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.273 -0.64 . . . . 15.0 109.273 170.301 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.481 ' CG2' ' HE3' ' A' ' 439' ' ' LYS . 9.0 p -96.28 112.93 24.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 15.0 111.455 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -111.08 125.05 53.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.351 0.596 . . . . 15.0 109.65 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -89.98 122.49 33.04 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.995 -177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -104.88 116.89 32.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 15.0 110.963 -173.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -90.19 118.65 29.88 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 174.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -74.88 -15.01 60.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.8 0.296 . . . . 15.0 111.8 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -79.31 -34.19 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.471 . . . . 15.0 110.942 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 21.9 p -111.97 -11.64 13.84 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.302 -176.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m95 64.35 25.16 13.4 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.547 0.689 . . . . 15.0 109.688 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -95.64 123.12 39.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.877 -1.056 . . . . 15.0 110.657 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -106.37 118.1 35.77 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.121 -0.945 . . . . 15.0 110.326 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.4 t -121.25 150.24 41.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.647 0.26 . . . . 15.0 110.698 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 444' ' ' LYS . 81.9 m95 -89.59 -10.92 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.42 0.629 . . . . 15.0 109.986 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.22 156.56 20.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 15.0 109.413 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 99.2 mttt -89.76 121.41 69.05 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.036 0.446 . . . . 15.0 110.824 -176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_endo -57.09 150.17 58.32 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.501 2.8 . . . . 15.0 111.751 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -51.62 -29.2 16.74 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 123.266 0.627 . . . . 15.0 112.196 -178.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.624 ' OE1' ' HA ' ' A' ' 433' ' ' SER . 5.8 pt-20 -69.91 -8.47 49.02 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.884 0.373 . . . . 15.0 111.472 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 37.3 tp -133.39 8.63 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.509 0.671 . . . . 15.0 109.236 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.595 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.59 -0.732 . . . . 15.0 109.688 -174.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.05 -0.42 . . . . 15.0 112.05 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -102.68 136.36 42.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.064 -0.347 . . . . 15.0 110.064 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.6 m -107.15 -2.93 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.738 0.78 . . . . 15.0 110.957 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -164.4 69.71 0.18 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.747 -1.115 . . . . 15.0 109.897 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 433' ' ' SER . 73.0 t -42.85 128.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 113.357 -1.747 . . . . 15.0 111.623 -176.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 37.5 t 89.67 28.71 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 112.386 -2.188 . . . . 15.0 109.356 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.526 ' HG2' ' CD1' ' A' ' 435' ' ' TRP . 1.3 pm0 -76.37 -14.33 60.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.063 -0.971 . . . . 15.0 110.208 176.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 434' ' ' GLU . 78.5 m95 -104.79 128.9 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.491 -0.777 . . . . 15.0 110.45 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.9 m -117.77 144.88 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.855 -0.424 . . . . 15.0 109.855 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.21 138.16 31.87 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.754 0.787 . . . . 15.0 111.122 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -132.85 124.59 28.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.107 -1.406 . . . . 15.0 109.339 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -107.8 143.7 35.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.895 -0.593 . . . . 15.0 110.698 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.1 p -89.55 150.74 22.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.33 -35.25 5.19 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.791 0.663 . . . . 15.0 112.791 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 4.8 p-10 -80.72 -1.96 44.87 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.012 0.434 . . . . 15.0 111.219 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 84.92 51.52 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.671 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 42.5 mmtm -116.07 122.29 44.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 170.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.2 p -93.73 112.14 23.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.803 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -107.37 128.21 54.27 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 172.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -91.13 126.91 36.36 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.273 0.558 . . . . 15.0 110.831 -174.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -105.85 117.5 34.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.629 -176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.409 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 23.1 t-20 -90.0 119.84 30.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.529 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -77.83 -8.3 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.273 -0.421 . . . . 15.0 112.073 -173.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.463 ' HG3' ' HB2' ' A' ' 434' ' ' GLU . 18.2 mtm180 -81.15 -43.08 19.9 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.712 -0.395 . . . . 15.0 110.557 -178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.419 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.5 t -119.89 7.23 10.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.414 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 17.5 m0 63.44 28.38 15.41 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.407 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.419 ' HB2' HG23 ' A' ' 452' ' ' THR . 10.3 tp10 -92.04 132.89 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.918 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 m -115.0 116.05 27.84 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 15.0 109.783 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -136.49 150.17 48.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.084 0.468 . . . . 15.0 111.163 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -82.04 -3.34 54.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.557 -0.747 . . . . 15.0 109.82 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.87 149.07 32.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 15.0 109.843 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.581 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 75.8 tttt -89.83 124.7 63.09 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.471 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' A' ' 463' ' ' LEU . 16.6 Cg_endo -59.03 149.31 80.51 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.51 2.807 . . . . 15.0 112.577 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -68.42 -18.25 64.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.644 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -10.46 50.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 15.0 110.681 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.581 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 43.1 tp -116.71 -1.87 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.725 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.549 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-N 114.86 -1.064 . . . . 15.0 112.077 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.701 -0.56 . . . . 15.0 111.701 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 67.58 151.04 0.07 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.099 0.56 . . . . 15.0 111.271 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 29.9 p 51.68 21.21 1.28 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.265 -0.88 . . . . 15.0 111.527 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -178.41 122.55 0.1 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.3 -0.864 . . . . 15.0 109.061 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 41.4 t -129.22 141.8 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.347 -0.983 . . . . 15.0 108.347 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 56.6 m 72.37 26.18 2.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.886 0.851 . . . . 15.0 110.116 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.626 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.3 pt-20 -72.6 -16.4 61.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.4 -1.273 . . . . 15.0 109.922 177.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.626 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 80.5 m95 -111.53 122.12 46.99 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.306 173.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.0 m -102.87 138.63 39.51 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.706 -0.479 . . . . 15.0 109.706 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -96.56 136.8 36.57 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.72 0.772 . . . . 15.0 111.619 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -134.13 129.68 36.26 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.21 -1.359 . . . . 15.0 109.25 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 445' ' ' THR . 15.2 ttmm -109.06 140.88 42.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.271 0.558 . . . . 15.0 110.439 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.5 p -89.57 150.76 22.27 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.203 -0.908 . . . . 15.0 109.062 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.4 -34.75 1.36 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.161 0.8 . . . . 15.0 113.161 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -84.84 5.09 30.16 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.284 0.564 . . . . 15.0 111.225 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.74 39.83 10.19 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.743 171.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -102.05 123.64 46.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -103.74 111.29 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.061 0.458 . . . . 15.0 111.795 -178.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.401 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 40.4 p90 -107.33 126.81 52.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.69 176.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -90.5 121.85 32.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.296 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -106.71 116.49 32.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.361 -0.836 . . . . 15.0 111.206 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -89.89 125.55 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.719 -0.474 . . . . 15.0 109.719 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -80.95 0.95 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 15.0 112.375 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 451' ' ' ARG . 29.8 mtm180 -91.08 -45.26 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 15.0 110.769 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -112.33 4.24 17.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 54.5 m0 60.49 29.41 18.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.266 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -89.48 125.86 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 15.0 111.051 -173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -108.23 117.81 35.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.336 -0.393 . . . . 15.0 109.97 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -122.53 150.09 43.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.495 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 75.3 m95 -91.57 -1.17 57.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.5 . . . . 15.0 110.458 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.96 159.4 14.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.777 -0.647 . . . . 15.0 109.755 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -89.97 122.54 67.7 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 15.0 111.234 -172.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.27 150.18 81.42 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 124.394 3.396 . . . . 15.0 113.734 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.1 -25.51 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.107 -0.951 . . . . 15.0 112.298 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.402 ' HG2' ' HG2' ' A' ' 434' ' ' GLU . 1.0 OUTLIER -85.58 -9.85 56.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 15.0 111.339 -176.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -114.85 2.64 14.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.594 0.711 . . . . 15.0 109.398 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.112 -178.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.628 -0.589 . . . . 15.0 111.628 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 430' ' ' THR . . . 56.28 89.9 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.77 0.428 . . . . 15.0 110.179 -175.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 429' ' ' ALA . 83.0 m 71.35 111.07 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.43 -0.805 . . . . 15.0 108.854 -166.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 68.25 79.33 0.22 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.321 -0.854 . . . . 15.0 110.197 -170.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.472 HG22 ' OE2' ' A' ' 434' ' ' GLU . 25.1 m -106.45 44.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 122.15 0.976 . . . . 15.0 110.375 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.4 m 58.27 30.06 18.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.574 -1.648 . . . . 15.0 111.252 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.777 ' HG2' ' HD1' ' A' ' 435' ' ' TRP . 0.0 OUTLIER -94.77 -33.98 12.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.543 178.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.777 ' HD1' ' HG2' ' A' ' 434' ' ' GLU . 80.2 m95 -121.74 104.97 9.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 15.0 109.633 174.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.1 m -91.94 132.33 36.58 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.125 -0.694 . . . . 15.0 109.125 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.471 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -105.9 134.64 48.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.515 0.674 . . . . 15.0 111.187 -174.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 92.3 m-85 -124.96 133.03 53.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.317 -0.856 . . . . 15.0 109.406 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -104.95 144.05 32.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 15.0 110.656 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 73.3 p -89.58 150.63 22.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.421 -0.809 . . . . 15.0 109.387 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -42.91 -34.59 0.99 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.611 0.967 . . . . 15.0 113.611 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 5.3 p-10 -82.72 -4.81 58.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 15.0 111.001 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.14 43.86 4.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.811 -0.632 . . . . 15.0 113.883 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 442' ' ' ASP . 47.2 mmtm -112.08 119.69 39.28 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.222 -0.658 . . . . 15.0 109.222 170.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.1 m -100.0 128.15 46.12 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.863 0.364 . . . . 15.0 111.031 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 48.9 p90 -115.04 137.46 51.98 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.264 -0.643 . . . . 15.0 109.264 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.471 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 35.8 m-85 -97.6 122.63 40.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.449 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -105.21 117.31 33.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.933 -0.576 . . . . 15.0 109.952 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.64 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 25.7 t-20 -89.96 121.96 32.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -81.7 4.37 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.863 -173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -94.69 -49.76 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 15.0 109.997 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.9 p -101.96 -2.04 30.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.909 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 62.58 27.63 16.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.483 -0.781 . . . . 15.0 110.516 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.49 140.08 31.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 15.0 111.11 -172.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -107.97 113.45 26.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.075 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 30.4 m -122.78 136.86 55.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.275 -0.42 . . . . 15.0 110.618 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -83.45 -26.26 30.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.089 0.471 . . . . 15.0 110.912 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.64 150.81 34.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.981 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 28.3 ttpp -89.72 118.5 69.04 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-O 121.26 0.552 . . . . 15.0 111.579 -173.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' A' ' 435' ' ' TRP . 31.6 Cg_endo -62.77 150.65 87.46 Favored 'Trans proline' 0 N--CA 1.473 0.295 0 C-N-CA 124.399 3.399 . . . . 15.0 113.259 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.514 ' HA ' HE21 ' A' ' 461' ' ' GLN . 0.0 OUTLIER -57.48 -31.14 65.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.976 -0.557 . . . . 15.0 112.064 178.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.7 pm0 -69.46 -15.96 63.37 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.833 0.349 . . . . 15.0 111.15 177.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 40.2 tp -112.19 1.28 16.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.337 0.589 . . . . 15.0 110.133 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.111 -0.947 . . . . 15.0 110.232 -178.341 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.04 -0.424 . . . . 15.0 112.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.422 ' HB2' ' HD3' ' A' ' 451' ' ' ARG . . . 62.72 102.78 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.031 0.532 . . . . 15.0 111.516 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.2 m -80.85 48.83 1.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.698 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.461 ' O ' HG12 ' A' ' 432' ' ' VAL . . . 57.12 82.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.073 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 431' ' ' ALA . 0.4 OUTLIER 75.61 162.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 124.159 0.983 . . . . 15.0 110.342 -175.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.1 t 73.5 39.79 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.485 -0.779 . . . . 15.0 110.38 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.6 pt-20 -76.24 3.74 10.17 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.357 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.657 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 72.9 m95 -115.05 112.66 22.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.6 m -100.74 143.02 31.39 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.465 -0.569 . . . . 15.0 109.465 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -114.67 139.21 49.84 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.408 0.623 . . . . 15.0 111.399 -174.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.32 131.55 42.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.365 -0.834 . . . . 15.0 108.956 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 439' ' ' LYS . 31.5 ttmt -90.67 141.67 28.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 15.0 110.588 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 p -89.61 150.74 22.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.522 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.19 -30.19 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.832 1.049 . . . . 15.0 113.832 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.54 3.39 47.66 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.303 0.573 . . . . 15.0 110.865 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 82.45 52.0 4.13 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.5 -0.773 . . . . 15.0 113.361 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -126.73 126.68 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.4 p -93.89 107.55 19.44 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.155 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -90.12 135.83 33.42 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.798 -0.816 . . . . 15.0 108.798 174.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.444 ' HD1' ' HB3' ' A' ' 437' ' ' GLU . 38.6 m-85 -99.47 122.51 42.66 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.661 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.1 t80 -110.31 118.85 37.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.236 -0.893 . . . . 15.0 111.159 -174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 3.3 t-20 -90.7 120.05 31.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.529 175.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -77.28 -7.52 56.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.803 0.298 . . . . 15.0 111.803 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.429 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 32.7 mtm180 -98.08 -17.1 19.29 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.836 -0.346 . . . . 15.0 111.761 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 35.3 p -119.99 -11.62 9.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.769 0.319 . . . . 15.0 110.414 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 63.49 30.15 15.27 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.927 0.87 . . . . 15.0 109.753 -178.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 7.5 tp10 -95.02 129.6 42.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.336 -1.302 . . . . 15.0 110.894 -176.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.4 m -114.44 110.22 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.737 -0.468 . . . . 15.0 109.737 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -125.08 150.15 47.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 15.0 110.927 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -88.99 -0.91 57.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.054 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.52 156.15 19.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.389 -0.823 . . . . 15.0 109.577 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -89.77 115.49 63.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.039 0.447 . . . . 15.0 110.306 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.77 150.07 89.29 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.396 2.731 . . . . 15.0 111.526 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -68.8 -26.31 65.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 15.0 110.355 -178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -72.44 -8.59 55.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.114 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 23.5 tp -135.17 20.36 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.263 -0.426 . . . . 15.0 109.988 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.504 -0.76 . . . . 15.0 111.326 -176.719 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.478 -0.649 . . . . 15.0 111.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -88.08 82.31 7.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.61 0.719 . . . . 15.0 111.341 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.8 t -97.67 -2.86 40.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 15.0 108.712 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.519 ' HB1' ' OE1' ' A' ' 434' ' ' GLU . . . -157.55 108.5 2.27 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 113.907 -1.497 . . . . 15.0 109.247 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.27 153.15 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.432 -0.581 . . . . 15.0 109.432 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 49.6 m 69.07 23.95 6.33 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.96 0.886 . . . . 15.0 109.419 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.519 ' OE1' ' HB1' ' A' ' 431' ' ' ALA . 6.0 pt-20 -95.09 -2.83 49.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.262 -1.336 . . . . 15.0 111.191 -175.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.511 ' CD1' ' HG3' ' A' ' 434' ' ' GLU . 71.7 m95 -105.87 119.74 39.95 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.74 -0.664 . . . . 15.0 110.657 -178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.5 m -107.35 135.8 48.23 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.823 -0.806 . . . . 15.0 108.823 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.6 OUTLIER -108.88 134.1 52.02 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.614 0.721 . . . . 15.0 110.82 -177.164 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.64 124.53 44.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.128 -0.942 . . . . 15.0 109.669 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -107.24 142.16 37.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.224 0.535 . . . . 15.0 110.259 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.8 p -89.45 150.68 22.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.312 -0.858 . . . . 15.0 108.809 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.45 -31.04 0.96 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.327 0.862 . . . . 15.0 113.327 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.09 -4.79 59.17 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.162 0.506 . . . . 15.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 43.68 4.97 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.715 -0.675 . . . . 15.0 113.946 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -99.69 110.58 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.359 -0.978 . . . . 15.0 108.359 166.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.8 m -107.88 125.24 51.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.905 0.383 . . . . 15.0 110.385 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 48.5 p90 -125.67 139.99 53.09 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.934 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 64.4 m-85 -98.41 122.44 41.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.627 -175.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -108.71 119.42 39.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.885 -173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -89.91 118.3 29.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 15.0 109.519 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -74.53 -8.52 56.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.635 0.605 . . . . 15.0 112.635 -171.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.508 ' HD3' ' OE1' ' A' ' 434' ' ' GLU . 24.0 mtm180 -77.2 -64.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.45 0.643 . . . . 15.0 109.94 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 9.0 p -102.4 6.65 40.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.25 -0.887 . . . . 15.0 111.964 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 26.1 m0 65.11 30.22 11.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.209 0.528 . . . . 15.0 110.658 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.67 123.4 33.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.459 -172.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.3 m -114.21 124.14 51.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.595 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.4 t -133.7 149.91 51.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.411 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 64.6 m95 -90.94 0.28 57.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.231 0.539 . . . . 15.0 110.305 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -98.09 148.55 23.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.803 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 32.0 tttp -89.69 113.49 57.03 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.536 -0.302 . . . . 15.0 110.247 -173.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.14 142.25 86.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.077 2.518 . . . . 15.0 111.643 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -21.45 29.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.995 0.426 . . . . 15.0 111.475 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.82 -22.69 64.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 15.0 111.42 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 tp -127.62 -10.68 5.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.865 0.364 . . . . 15.0 111.338 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.803 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 23.8 ttmm . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.501 -0.761 . . . . 15.0 110.818 -177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.282 -0.327 . . . . 15.0 112.282 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -96.58 84.28 3.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.285 0.564 . . . . 15.0 110.861 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . 0.652 ' HB ' HD12 ' A' ' 463' ' ' LEU . 21.9 p -105.44 108.78 20.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.313 178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' ' 463' ' ' LEU . . . 56.02 84.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.849 0.718 . . . . 15.0 111.073 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 432' ' ' VAL . 2.8 m -78.16 67.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 15.0 111.464 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.7 m 59.06 25.73 14.25 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.656 -1.156 . . . . 15.0 112.245 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 9.6 pt-20 -119.11 -22.38 7.23 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.395 -0.82 . . . . 15.0 111.122 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.58 ' CD1' ' HG3' ' A' ' 462' ' ' GLU . 75.2 m95 -126.26 111.22 14.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.736 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 2.2 m -99.0 139.43 34.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.443 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -101.06 137.81 38.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.431 0.634 . . . . 15.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -136.69 132.13 34.51 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.624 -1.171 . . . . 15.0 109.528 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -106.66 135.64 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.323 0.583 . . . . 15.0 111.179 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 444' ' ' LYS . 39.3 p -89.69 150.88 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 15.0 109.023 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -38.54 -36.19 0.23 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.931 1.086 . . . . 15.0 113.931 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.612 ' OD2' ' HG2' ' A' ' 444' ' ' LYS . 3.1 p-10 -82.88 -4.92 58.72 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.989 -0.444 . . . . 15.0 111.375 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 30.23 13.31 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.903 -0.589 . . . . 15.0 113.9 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.706 ' HA ' ' HE3' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -91.68 123.71 35.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.483 -0.562 . . . . 15.0 109.483 171.539 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 p -98.52 106.15 18.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.544 -0.298 . . . . 15.0 111.086 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.483 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 51.6 p90 -96.67 135.21 38.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -103.09 129.66 50.0 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.46 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -113.26 117.95 33.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.36 -0.836 . . . . 15.0 110.919 -175.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 18.0 t-20 -90.47 128.29 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.571 HD22 ' N ' ' A' ' 450' ' ' ASN . 0.7 OUTLIER -81.8 -4.9 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.711 -172.441 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 451' ' ' ARG . 34.4 mtm-85 -86.88 -52.07 5.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.141 0.496 . . . . 15.0 110.508 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.6 p -99.72 -1.34 38.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.851 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 11.2 m0 60.52 29.86 19.32 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.554 0.692 . . . . 15.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.08 125.55 38.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.021 -0.99 . . . . 15.0 110.695 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.7 p -111.41 112.77 24.75 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.014 -0.993 . . . . 15.0 110.045 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -126.31 150.26 48.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.135 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.483 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 81.6 m95 -85.94 -7.24 58.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 15.0 111.297 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.68 150.9 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.56 -0.533 . . . . 15.0 109.56 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -89.78 110.41 39.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.965 -0.383 . . . . 15.0 109.965 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.3 149.93 61.63 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.685 2.924 . . . . 15.0 113.04 -174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.32 -24.93 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 15.0 111.16 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 1.6 pm0 -75.8 -7.21 53.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.757 0.313 . . . . 15.0 110.804 176.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.652 HD12 ' HB ' ' A' ' 430' ' ' THR . 51.8 tp -120.24 7.25 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 15.0 109.8 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.526 -0.749 . . . . 15.0 109.671 178.011 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.264 -0.334 . . . . 15.0 112.264 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . 0.463 ' HA ' ' OE1' ' A' ' 434' ' ' GLU . . . -143.16 138.58 29.86 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.556 0.342 . . . . 15.0 110.12 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 24.7 p -88.4 19.79 3.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.345 0.593 . . . . 15.0 109.834 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 432' ' ' VAL . . . 61.25 64.54 1.08 Allowed 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.661 -1.154 . . . . 15.0 110.145 -174.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 431' ' ' ALA . 0.3 OUTLIER 66.43 160.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 112.768 -2.015 . . . . 15.0 111.234 -176.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.7 m 69.92 40.38 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.082 -0.963 . . . . 15.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.502 ' HG3' ' NH1' ' A' ' 451' ' ' ARG . 22.0 mm-40 -59.9 -21.01 60.49 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.123 -0.944 . . . . 15.0 111.262 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.408 ' HD1' ' CG ' ' A' ' 462' ' ' GLU . 76.3 m95 -110.38 122.49 47.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.734 -0.667 . . . . 15.0 110.356 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.5 m -104.42 143.6 32.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.74 128.95 53.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.652 0.739 . . . . 15.0 111.43 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.88 137.19 47.93 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.489 -1.232 . . . . 15.0 110.185 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -96.35 144.08 26.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.221 0.534 . . . . 15.0 110.918 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 43.3 p -89.72 150.92 22.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.395 -0.821 . . . . 15.0 109.143 174.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.78 -30.13 0.23 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.96 1.096 . . . . 15.0 113.96 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.19 -3.68 55.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.171 0.51 . . . . 15.0 111.324 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 49.93 3.17 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.78 -0.645 . . . . 15.0 113.934 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -120.23 125.5 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 27.4 p -89.93 109.72 20.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.773 0.32 . . . . 15.0 111.404 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -96.42 132.33 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.201 -0.666 . . . . 15.0 109.201 174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -98.29 118.93 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.135 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -107.6 121.41 44.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.033 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -89.93 116.31 27.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.848 -0.797 . . . . 15.0 108.848 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -73.77 -2.24 22.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.671 0.607 . . . . 15.0 111.533 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.502 ' NH1' ' HG3' ' A' ' 434' ' ' GLU . 30.0 mtm180 -86.08 -63.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 15.0 110.202 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -87.56 -3.79 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.149 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 61.9 30.0 18.01 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 115.613 -0.721 . . . . 15.0 110.021 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -93.12 146.0 23.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.051 -0.977 . . . . 15.0 110.589 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.2 t -124.39 112.07 16.5 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -130.46 150.4 51.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.951 0.405 . . . . 15.0 111.144 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -83.46 -4.59 58.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.291 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.05 135.32 43.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.515 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 57.8 tttp -89.82 112.02 49.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 121.236 0.541 . . . . 15.0 110.062 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 15.8 Cg_exo -69.6 150.32 69.04 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.967 3.111 . . . . 15.0 112.752 -175.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.73 -30.44 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 15.0 111.431 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.408 ' CG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 pm0 -83.73 5.84 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.362 178.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.479 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 36.7 tp -127.34 14.39 7.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.206 0.527 . . . . 15.0 110.54 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.522 -0.752 . . . . 15.0 110.135 178.698 . . . . . . . . 0 0 . 1 stop_ save_