data_2n4s_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 2n4s _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 . . . . . 0.774 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 24.0 tt0 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 112.115 0.413 . . . . 15.0 112.115 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -113.11 150.41 32.18 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.684 0.754 . . . . 15.0 111.377 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.0 m -133.18 133.18 42.47 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.032 -1.44 . . . . 15.0 109.644 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.592 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -115.85 139.62 50.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.768 0.794 . . . . 15.0 112.033 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.5 m-85 -126.98 138.79 53.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.856 -1.066 . . . . 15.0 108.888 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.965 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.3 tppp? -90.03 115.65 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 15.0 109.258 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.87 150.71 22.1 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.041 -0.981 . . . . 15.0 110.493 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.45 -8.16 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.72 1.007 . . . . 15.0 113.72 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.48 -5.06 37.64 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.679 0.752 . . . . 15.0 109.466 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 17.2 53.82 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 114.683 -1.144 . . . . 15.0 114.072 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.965 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.0 mtmm -152.08 173.84 14.43 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.858 1.329 . . . . 15.0 113.469 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.724 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 5.9 p -98.21 140.91 31.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 114.202 -1.363 . . . . 15.0 112.532 -175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -117.9 141.6 48.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 15.0 108.951 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.6 m-85 -98.34 126.8 43.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 15.0 111.534 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 83.5 t80 -114.34 123.11 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 15.0 110.643 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.774 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.4 t-20 -92.08 126.93 37.36 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -81.25 -7.61 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.902 0.751 . . . . 15.0 112.929 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.423 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.0 mtm105 -91.62 -50.68 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 15.0 110.677 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.9 p -88.93 -12.63 41.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.841 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 66.4 34.38 6.31 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.511 0.507 . . . . 15.0 110.188 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.541 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.0 pt-20 -105.52 139.71 39.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.971 0.415 . . . . 15.0 111.146 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 p -119.29 113.94 21.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.567 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.2 t -134.0 150.21 51.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.488 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -84.74 -3.3 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.894 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -83.68 134.47 34.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.213 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 83.5 tttt -64.25 125.29 87.94 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.832 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.5 Cg_exo -61.96 156.16 50.94 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 C-N-CA 123.532 2.821 . . . . 15.0 113.354 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.14 -35.54 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.934 0.874 . . . . 15.0 109.979 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.8 pm0 -87.21 8.87 22.07 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.778 -1.101 . . . . 15.0 111.444 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.44 0.638 . . . . 15.0 110.112 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--O 1.236 0.382 0 CA-C-O 120.622 0.249 . . . . 15.0 111.435 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.444 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 53.2 m95 -125.99 150.39 48.09 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.932 0.872 . . . . 15.0 111.599 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.9 m -135.98 136.02 40.01 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 113.696 -1.593 . . . . 15.0 109.215 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -113.35 137.96 50.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.569 0.7 . . . . 15.0 111.689 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.557 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -129.62 138.22 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.983 -1.008 . . . . 15.0 109.384 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.948 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.8 tppt? -91.05 120.93 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.69 150.63 22.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.46 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.11 -20.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.347 1.24 . . . . 15.0 114.347 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.41 -3.76 29.37 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.644 0.735 . . . . 15.0 110.056 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 27.56 20.37 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.08 -0.963 . . . . 15.0 114.684 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.948 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.2 mtmm -151.46 169.65 21.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.821 1.311 . . . . 15.0 113.263 170.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.754 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -99.8 145.57 27.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 114.417 -1.265 . . . . 15.0 112.497 -173.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -125.06 146.27 49.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.069 -0.969 . . . . 15.0 108.785 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 48.9 m-85 -97.18 125.7 41.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.561 0.696 . . . . 15.0 111.415 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -113.56 121.71 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.117 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.528 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.6 t-20 -90.95 126.84 36.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.283 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.45 -4.94 58.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.488 0.551 . . . . 15.0 112.488 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -79.52 -57.45 3.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.609 0.718 . . . . 15.0 109.376 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -99.15 -8.51 25.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.224 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 64.08 38.85 8.18 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.554 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -97.57 136.07 38.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.776 -177.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.7 p -109.73 121.37 45.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.472 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.6 t -139.56 150.18 44.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.892 0.377 . . . . 15.0 110.793 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -87.43 -1.69 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.106 0.479 . . . . 15.0 110.26 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.26 147.31 31.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 15.0 109.821 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.475 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 13.0 ttmm -89.1 115.55 63.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.941 0.401 . . . . 15.0 111.049 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.2 Cg_endo -54.04 149.41 35.25 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 124.065 3.177 . . . . 15.0 113.316 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.99 -33.84 76.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.316 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.76 -40.64 95.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.93 -1.032 . . . . 15.0 111.879 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.488 0.661 . . . . 15.0 110.567 -171.299 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.715 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 16.8 tt0 . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 121.443 0.64 . . . . 15.0 109.577 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 28.6 m95 -106.68 150.11 26.58 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-O 121.946 0.879 . . . . 15.0 110.731 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 95.1 m -122.98 137.01 55.07 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.162 -1.381 . . . . 15.0 109.191 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.77 132.79 56.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.654 0.74 . . . . 15.0 111.528 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.7 m-85 -125.43 133.19 52.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.117 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.032 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 2.7 tppp? -90.1 114.61 26.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.57 150.9 22.21 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.65 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.78 -17.64 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.095 1.146 . . . . 15.0 114.095 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -0.34 14.39 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.327 0.584 . . . . 15.0 110.445 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 24.06 29.92 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.09 -0.959 . . . . 15.0 114.994 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.032 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 11.2 mttp -154.19 173.42 16.13 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.998 1.399 . . . . 15.0 112.522 173.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.768 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -96.99 145.16 26.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.455 -1.248 . . . . 15.0 111.717 -177.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -119.76 139.14 52.76 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.167 -1.049 . . . . 15.0 108.167 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.624 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 26.0 m-85 -96.32 129.56 43.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 15.0 111.266 -172.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 59.3 t80 -120.93 124.39 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.784 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.715 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.4 t-20 -89.74 125.66 35.37 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -77.13 -15.41 59.56 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -98.4 -24.57 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.276 -0.57 . . . . 15.0 111.989 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 28.5 p -107.8 -10.17 15.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.614 0.245 . . . . 15.0 111.051 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 65.96 27.87 10.69 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.942 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.562 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.1 pt-20 -98.02 127.22 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.146 -0.621 . . . . 15.0 111.23 -173.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.4 p -111.69 115.88 29.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.4 t -146.14 150.37 35.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.459 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.943 0.402 . . . . 15.0 110.775 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.52 137.57 38.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.748 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 51.4 tttp -66.76 128.69 93.97 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.119 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 18.9 Cg_exo -66.22 153.57 77.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.229 2.619 . . . . 15.0 113.304 -175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -68.94 -34.23 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.84 . . . . 15.0 111.188 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -0.91 57.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.591 -0.731 . . . . 15.0 111.427 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.013 -0.539 . . . . 15.0 109.794 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.543 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 11.5 tp10 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 121.247 0.546 . . . . 15.0 111.173 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 34.0 m95 -111.67 150.13 30.59 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 121.846 0.831 . . . . 15.0 110.617 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.6 m -123.36 127.62 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.895 -1.502 . . . . 15.0 109.203 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -104.38 124.21 48.8 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.707 0.765 . . . . 15.0 111.025 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.7 m-85 -112.43 130.87 55.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.368 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.951 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 9.4 tppt? -90.05 119.84 30.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.947 -0.76 . . . . 15.0 108.947 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.58 150.91 22.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.537 -174.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.08 -21.89 0.05 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.078 1.14 . . . . 15.0 114.078 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.88 -8.66 55.7 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.437 0.637 . . . . 15.0 110.185 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.28 12.42 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 115.467 0.947 . . . . 15.0 115.467 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.951 ' HA ' ' HD2' ' A' ' 439' ' ' LYS 0.257 14.6 mttp -147.9 174.72 11.59 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 119.202 1.501 . . . . 15.0 112.503 165.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.709 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -102.73 148.21 25.88 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.787 -1.551 . . . . 15.0 112.46 -173.566 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.96 144.85 50.4 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.83 127.22 43.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.089 0.471 . . . . 15.0 112.066 -170.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.5 t80 -110.41 122.64 48.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.59 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.543 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.4 t-20 -93.25 137.04 32.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.407 -0.36 . . . . 15.0 110.4 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.73 10.14 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 15.0 112.464 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.537 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 30.2 mtm-85 -102.49 -31.63 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 15.0 110.519 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -117.84 -6.03 11.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.846 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.38 47.92 15.69 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.326 0.391 . . . . 15.0 110.52 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -116.84 145.93 43.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.062 0.458 . . . . 15.0 111.266 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.2 p -117.91 123.3 45.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.613 -0.722 . . . . 15.0 110.149 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.9 t -131.62 150.08 52.27 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -93.67 -6.45 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.371 . . . . 15.0 110.93 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -89.39 133.79 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 15.0 109.941 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.5 tttm -67.49 119.78 68.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 15.0 109.809 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.2 Cg_exo -68.11 146.78 71.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 123.04 2.493 . . . . 15.0 112.743 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 122.075 0.94 . . . . 15.0 109.44 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.8 -17.0 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.719 -1.582 . . . . 15.0 111.613 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.5 tp . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.383 0.611 . . . . 15.0 110.338 -177.141 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.746 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.6 tt0 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.237 0.541 . . . . 15.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 42.0 m95 -113.62 150.14 33.56 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.734 0.778 . . . . 15.0 110.523 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 64.8 m -126.84 134.71 50.47 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.058 -1.428 . . . . 15.0 109.756 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -112.95 130.34 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.428 0.633 . . . . 15.0 111.12 179.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.0 m-85 -118.84 131.56 56.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.989 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -90.25 114.78 26.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.61 150.65 22.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.854 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.25 -18.64 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.443 1.275 . . . . 15.0 114.443 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.14 -2.16 23.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.409 0.623 . . . . 15.0 110.371 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 26.89 22.14 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.203 -0.908 . . . . 15.0 114.802 172.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.989 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -153.65 169.24 23.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.705 1.253 . . . . 15.0 113.103 171.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.756 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -98.21 148.4 23.63 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 114.501 -1.227 . . . . 15.0 112.367 -177.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.8 p90 -126.01 148.79 49.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.985 -1.007 . . . . 15.0 108.432 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 69.8 m-85 -105.09 126.33 51.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 15.0 111.815 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 69.2 t80 -114.15 124.43 52.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.737 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.746 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.24 134.6 34.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -90.48 -1.19 57.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.996 0.739 . . . . 15.0 112.996 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.451 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.5 mtm180 -100.49 -45.34 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.871 -0.518 . . . . 15.0 111.413 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.4 p -91.23 -17.41 26.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.826 0.346 . . . . 15.0 110.454 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.15 64.69 0.95 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.323 -0.853 . . . . 15.0 110.423 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 15.5 pt-20 -135.31 141.91 45.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.432 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.1 p -119.04 113.2 20.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.165 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.2 t -133.17 150.55 52.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.245 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.533 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 82.5 m95 -87.53 -3.3 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.367 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -81.67 136.68 35.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.963 -0.755 . . . . 15.0 108.963 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 39.5 tttm -72.22 115.29 37.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.866 0.365 . . . . 15.0 111.009 -172.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 435' ' ' TRP . 5.0 Cg_exo -42.95 134.05 5.63 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 124.41 3.407 . . . . 15.0 113.709 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.4 -44.76 76.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.969 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -68.61 -4.52 15.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.843 -1.072 . . . . 15.0 111.952 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 15.0 110.019 -171.161 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.78 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 11.7 tt0 . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.361 0.601 . . . . 15.0 110.367 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -109.95 150.06 29.02 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.934 0.873 . . . . 15.0 110.732 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.9 m -122.94 134.06 54.36 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 113.932 -1.486 . . . . 15.0 109.379 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 132.59 54.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.638 0.733 . . . . 15.0 111.512 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' A' ' 445' ' ' THR . 83.3 m-85 -128.59 135.06 48.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.362 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.008 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.7 tppp? -89.81 114.53 26.27 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.972 -0.751 . . . . 15.0 108.972 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.79 150.95 22.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.805 -1.088 . . . . 15.0 110.808 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.46 -16.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.23 1.196 . . . . 15.0 114.23 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -73.53 -1.67 19.54 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.83 -0.544 . . . . 15.0 110.369 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 22.08 35.6 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.468 -0.787 . . . . 15.0 114.7 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.008 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -153.94 172.96 16.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.745 1.272 . . . . 15.0 112.854 172.192 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -95.86 143.09 27.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 114.414 -1.266 . . . . 15.0 112.283 -176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 31.9 p90 -115.95 148.56 39.95 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.927 -1.138 . . . . 15.0 107.927 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.412 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 41.1 m-85 -106.71 118.75 37.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 15.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.4 t80 -107.88 126.31 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.576 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.78 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.3 t-20 -89.81 133.45 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -81.66 -24.32 36.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -171.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.417 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.3 mtm180 -84.85 -55.82 3.89 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 15.0 111.469 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.1 p -76.4 -24.51 54.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.163 0.506 . . . . 15.0 110.151 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 34.2 mt-10 61.92 75.32 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.724 -1.125 . . . . 15.0 110.61 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.9 pt-20 -145.42 145.96 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.754 -1.112 . . . . 15.0 110.426 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.6 m -111.04 113.06 25.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.792 0.329 . . . . 15.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -120.72 150.14 41.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.952 0.406 . . . . 15.0 110.527 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.71 6.93 47.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 15.0 110.42 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -95.13 135.51 36.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.747 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 29.5 tttm -60.52 120.81 55.64 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.61 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.9 Cg_exo -63.2 154.94 64.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.305 2.67 . . . . 15.0 113.204 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -64.82 -33.94 77.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.769 . . . . 15.0 111.395 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -93.5 3.57 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.317 -179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.422 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 24.6 tp . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.722 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.756 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.864 0.364 . . . . 15.0 111.513 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.489 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 30.4 m95 -110.58 150.07 29.47 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.45 0.643 . . . . 15.0 110.267 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -120.39 131.21 54.71 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.334 -1.303 . . . . 15.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.03 131.8 56.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.751 0.786 . . . . 15.0 111.625 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.7 m-85 -128.9 135.56 49.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 15.0 109.08 175.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.95 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.1 tppp? -89.8 115.79 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.038 -0.727 . . . . 15.0 109.038 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.92 150.76 22.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.858 -1.065 . . . . 15.0 110.388 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.78 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.475 1.287 . . . . 15.0 114.475 -174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.96 -0.55 21.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.502 0.668 . . . . 15.0 110.137 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 27.83 19.57 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.28 -0.873 . . . . 15.0 114.585 171.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.95 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 21.9 mttp -153.69 167.46 29.51 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.542 1.171 . . . . 15.0 113.245 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.751 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 29.7 p -96.29 140.87 30.34 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.704 -1.135 . . . . 15.0 112.034 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -112.52 144.33 42.16 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.264 -1.013 . . . . 15.0 108.264 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.04 119.27 38.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 15.0 111.294 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 71.9 t80 -106.82 121.52 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.2 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.756 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.3 t-20 -90.08 124.85 35.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.754 -0.461 . . . . 15.0 109.754 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -83.68 8.41 14.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.674 -0.694 . . . . 15.0 112.627 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.465 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 41.7 mtm105 -111.17 -18.26 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.996 -0.44 . . . . 15.0 111.423 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -123.96 -3.98 8.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.481 -0.327 . . . . 15.0 111.236 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 60.99 33.07 19.89 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 16.2 pt-20 -104.23 129.17 52.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.486 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.3 m -103.01 111.05 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.024 -0.535 . . . . 15.0 109.705 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -119.13 150.05 40.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.919 0.39 . . . . 15.0 110.781 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -94.64 5.19 52.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.477 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.4 131.45 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 15.0 109.376 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 82.5 tttt -68.83 124.3 89.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.0 Cg_exo -64.6 145.96 88.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.794 2.329 . . . . 15.0 112.168 -176.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -70.83 -27.11 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.152 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.42 -2.72 36.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.939 -1.028 . . . . 15.0 111.416 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.899 0.38 . . . . 15.0 110.749 -176.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.5 ' HG2' ' NH1' ' A' ' 451' ' ' ARG . 7.2 tp10 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.001 0.429 . . . . 15.0 110.743 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.08 150.29 29.59 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.619 0.723 . . . . 15.0 111.045 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.3 m -123.98 135.62 53.77 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.288 -1.324 . . . . 15.0 109.272 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -108.82 134.82 51.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.421 0.629 . . . . 15.0 111.149 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' A' ' 445' ' ' THR . 68.5 m-85 -122.6 134.88 54.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.16 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.017 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.97 116.89 28.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.263 0.554 . . . . 15.0 109.738 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.9 p -89.73 150.83 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.814 -1.084 . . . . 15.0 110.599 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.84 -21.83 0.07 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.364 1.246 . . . . 15.0 114.364 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.74 -2.19 13.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.523 0.678 . . . . 15.0 110.494 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.41 22.83 33.3 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.267 -0.879 . . . . 15.0 114.497 171.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.017 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.4 mtmm -151.11 172.38 15.87 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.73 1.265 . . . . 15.0 112.481 171.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.709 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 p -94.72 141.13 28.98 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.862 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 11.5 p90 -116.81 148.33 41.31 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 173.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 455' ' ' SER . 76.9 m-85 -104.11 127.07 51.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.31 0.576 . . . . 15.0 112.159 -169.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.448 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 87.3 t80 -113.92 125.37 53.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.67 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.758 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.1 t-20 -102.72 131.09 49.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.984 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -84.21 -0.82 53.69 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.012 0.745 . . . . 15.0 113.012 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 21.6 mtm180 -86.13 -33.64 20.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.013 0.435 . . . . 15.0 110.678 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.4 p -132.53 -1.52 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.256 -171.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.448 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 2.1 mp0 64.19 31.3 13.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.555 -174.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.758 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.9 pt-20 -89.94 133.03 35.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.056 0.455 . . . . 15.0 110.771 -173.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 26.1 p -118.43 117.72 29.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.989 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.7 t -132.83 150.3 52.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.482 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.466 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 89.1 m95 -86.92 -1.04 57.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.431 -0.35 . . . . 15.0 111.617 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.75 145.2 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.686 -0.487 . . . . 15.0 109.686 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 33.2 tttm -67.77 123.97 88.24 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.181 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.524 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 55.7 Cg_exo -55.78 152.33 35.73 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.784 2.989 . . . . 15.0 113.681 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.89 -38.71 91.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.627 . . . . 15.0 110.774 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -97.05 7.21 47.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.502 -0.772 . . . . 15.0 112.094 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 26.3 tp . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.29 0.567 . . . . 15.0 110.408 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.874 ' HG2' ' HG3' ' A' ' 451' ' ' ARG . 8.5 tp10 . . . . . 0 CA--C 1.517 -0.318 0 CA-C-O 121.512 0.672 . . . . 15.0 110.214 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 30.8 m95 -94.77 150.13 20.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.979 0.895 . . . . 15.0 111.344 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.7 m -124.77 143.55 50.73 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.969 -1.469 . . . . 15.0 109.485 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -114.08 131.53 56.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.569 0.7 . . . . 15.0 111.354 -178.605 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.5 m-85 -125.15 132.82 53.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 15.0 109.331 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.077 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.4 tppp? -89.91 113.56 25.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.56 150.87 22.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.307 -0.861 . . . . 15.0 110.575 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.84 0.1 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.106 1.151 . . . . 15.0 114.106 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.27 -1.7 4.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.218 0.532 . . . . 15.0 110.749 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 17.02 54.33 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.392 -0.822 . . . . 15.0 114.844 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.077 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -149.65 172.15 15.51 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.971 1.385 . . . . 15.0 113.044 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.791 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -97.74 143.82 27.99 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.386 -1.279 . . . . 15.0 112.474 -174.024 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -125.16 147.32 49.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.682 -1.145 . . . . 15.0 107.972 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 64.7 m-85 -103.03 124.48 48.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 15.0 111.549 -172.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 58.0 t80 -109.58 122.73 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.003 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.8 t-20 -91.14 126.69 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.479 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.426 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 54.2 m-80 -79.68 -16.18 56.18 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.82 0.674 . . . . 15.0 112.82 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.874 ' HG3' ' HG2' ' A' ' 434' ' ' GLU . 50.0 mtm-85 -73.01 -55.96 5.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.2 0.524 . . . . 15.0 110.538 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.6 p -102.32 -2.98 27.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.434 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 62.6 38.04 12.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.115 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.69 130.04 53.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.764 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -111.93 121.99 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.4 -0.364 . . . . 15.0 111.107 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.9 t -139.45 150.41 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.13 -6.78 52.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.056 0.455 . . . . 15.0 110.936 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.39 122.59 32.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.377 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.49 128.42 92.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 111.279 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.442 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 52.7 Cg_endo -68.23 159.72 51.99 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.492 2.794 . . . . 15.0 113.653 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -62.04 -33.29 74.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.823 -1.081 . . . . 15.0 111.246 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.88 1.07 18.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.291 -0.868 . . . . 15.0 111.851 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.883 0.373 . . . . 15.0 110.381 -179.033 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.906 0.384 . . . . 15.0 111.653 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -101.43 150.35 23.13 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.822 0.82 . . . . 15.0 110.866 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.5 m -124.46 142.36 51.37 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.017 -1.447 . . . . 15.0 109.103 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.38 131.51 54.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.642 0.734 . . . . 15.0 111.566 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.58 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.9 m-85 -130.78 134.94 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.513 -0.767 . . . . 15.0 109.437 175.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.898 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.2 tppp? -91.24 117.89 30.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.8 150.88 22.06 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.463 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.16 -18.3 0.05 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.6 1.333 . . . . 15.0 114.6 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 7.3 p-10 -75.27 -1.23 22.57 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.347 0.594 . . . . 15.0 110.173 175.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 28.39 18.0 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.313 -0.858 . . . . 15.0 115.018 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.898 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmt -152.4 166.3 32.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.182 0.991 . . . . 15.0 113.441 171.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.725 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 16.1 p -97.03 139.63 32.75 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.449 -1.251 . . . . 15.0 111.806 -176.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -114.13 141.03 48.01 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.28 -1.007 . . . . 15.0 108.28 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 455' ' ' SER . 39.0 m-85 -98.2 119.27 36.57 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.241 0.543 . . . . 15.0 111.028 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 57.9 t80 -106.62 122.52 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.091 -0.958 . . . . 15.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.624 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.4 t-20 -97.01 130.67 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.394 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.47 -2.12 55.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 15.0 112.617 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.48 -26.63 20.83 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.51 . . . . 15.0 110.351 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 13.1 p -132.15 -1.51 3.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.871 -170.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 58.26 27.72 15.59 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.835 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.624 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.8 pt-20 -93.64 146.64 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.626 -0.429 . . . . 15.0 110.978 -171.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 m -123.43 114.64 20.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.78 0.324 . . . . 15.0 110.715 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -124.93 150.18 46.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.175 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.587 ' CZ3' ' HE3' ' A' ' 444' ' ' LYS . 91.8 m95 -94.7 4.65 53.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.191 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -98.11 149.1 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 26.8 tttm -71.04 116.2 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.593 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 36.5 Cg_exo -62.12 153.91 66.18 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.5 2.8 . . . . 15.0 113.286 -175.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -35.26 78.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.823 -178.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.31 1.36 57.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.449 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 25.9 tp . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 121.308 0.575 . . . . 15.0 109.726 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.659 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 21.9 tt0 . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.887 0.375 . . . . 15.0 110.961 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 48.7 m95 -112.56 150.16 31.72 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.927 0.87 . . . . 15.0 111.227 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 55.5 m -130.69 132.72 45.56 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 113.453 -1.703 . . . . 15.0 109.187 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.0 OUTLIER -117.85 130.59 56.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.833 0.825 . . . . 15.0 111.124 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.7 m-85 -123.36 143.87 49.83 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.966 -1.015 . . . . 15.0 109.208 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.044 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.7 120.19 30.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 178.755 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.76 150.75 22.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.91 -1.041 . . . . 15.0 110.348 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.35 -18.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.791 1.034 . . . . 15.0 113.791 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.05 -7.04 37.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.692 0.758 . . . . 15.0 110.011 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.25 40.88 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 114.904 -1.044 . . . . 15.0 114.747 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.044 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.2 mtmm -148.31 174.55 11.91 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.015 1.407 . . . . 15.0 112.464 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.659 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -96.44 143.75 27.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 114.541 -1.209 . . . . 15.0 112.948 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 46.2 p90 -117.48 149.95 39.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.618 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 77.1 m-85 -101.15 126.08 47.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 15.0 111.495 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 48.2 t80 -115.03 121.77 44.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.848 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.659 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.47 129.72 36.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.203 -0.666 . . . . 15.0 109.203 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -79.99 -13.93 58.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.494 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 35.0 mtm105 -82.08 -55.06 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.913 -0.492 . . . . 15.0 110.67 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -86.49 -11.18 52.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.457 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.49 31.29 14.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.396 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.3 pt-20 -97.54 139.94 32.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.928 -173.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.409 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.2 m -115.56 120.78 40.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.031 -0.531 . . . . 15.0 109.719 176.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -139.34 150.2 45.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.622 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -87.53 -1.93 58.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.341 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.64 128.9 33.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.246 -0.65 . . . . 15.0 109.246 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.7 tttm -75.17 118.58 71.66 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.06 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.1 Cg_endo -44.4 150.38 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.585 3.524 . . . . 15.0 113.323 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.07 -31.67 30.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.754 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.68 -14.8 60.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.68 -1.146 . . . . 15.0 110.72 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.741 0.781 . . . . 15.0 109.711 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 39.9 tt0 . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.744 0.307 . . . . 15.0 110.81 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -120.01 150.41 40.59 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.999 0.904 . . . . 15.0 112.046 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.9 m -121.83 133.12 54.89 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 113.704 -1.589 . . . . 15.0 108.973 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.28 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.378 0.608 . . . . 15.0 111.564 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 445' ' ' THR . 69.0 m-85 -132.75 136.56 46.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.265 176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.031 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.1 tppt? -89.94 116.36 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.74 150.75 22.16 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.713 -1.131 . . . . 15.0 110.091 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.69 -12.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.852 1.056 . . . . 15.0 113.852 -176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -70.04 -6.74 35.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.319 0.58 . . . . 15.0 109.972 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.33 16.01 56.22 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.098 -0.956 . . . . 15.0 114.145 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.031 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.7 mttp -146.76 177.1 9.36 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.53 1.165 . . . . 15.0 112.437 172.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -102.0 144.97 29.95 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.569 -1.651 . . . . 15.0 112.915 -173.132 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -125.85 149.19 48.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.589 -1.263 . . . . 15.0 107.589 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.44 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 67.9 m-85 -107.81 127.35 53.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.449 0.643 . . . . 15.0 111.822 -170.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.505 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 57.4 t80 -105.04 117.83 34.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.705 -1.134 . . . . 15.0 110.396 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.639 ' HB3' ' CG ' ' A' ' 454' ' ' GLU . 15.4 t-20 -91.16 124.96 35.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.749 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -81.25 5.64 16.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.483 -0.78 . . . . 15.0 113.066 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 19.5 mtm180 -83.53 -60.43 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 15.0 109.751 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 54.4 p -113.07 5.46 17.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.895 -1.048 . . . . 15.0 110.735 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.505 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 63.67 36.89 10.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.333 -174.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.639 ' CG ' ' HB3' ' A' ' 449' ' ' ASN . 11.8 pt-20 -90.09 121.05 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.619 . . . . 15.0 109.988 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -109.12 119.87 40.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.643 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -141.97 150.23 41.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 15.0 110.756 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -77.87 -5.04 49.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.339 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -71.22 124.57 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 15.0 110.02 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 79.0 tttt -60.47 130.25 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.393 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 10.4 Cg_exo -69.03 153.24 72.61 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.967 2.445 . . . . 15.0 113.206 -172.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.85 -32.58 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.128 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 5.95 50.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.904 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.2 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 15.0 110.468 -179.387 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' A' ' 450' ' ' ASN . 11.4 tp10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.551 0.691 . . . . 15.0 110.224 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.426 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 56.8 m95 -105.52 150.39 25.38 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.29 -0.868 . . . . 15.0 110.924 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.7 m -130.11 137.95 50.44 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.408 -1.269 . . . . 15.0 109.54 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -114.82 129.74 56.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.546 0.688 . . . . 15.0 111.656 -175.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' A' ' 445' ' ' THR . 73.0 m-85 -125.19 135.06 52.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.562 -0.744 . . . . 15.0 109.67 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.068 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.75 111.32 22.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.2 p -89.87 150.78 22.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.137 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.72 -14.69 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.255 1.206 . . . . 15.0 114.255 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.85 4.69 11.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.51 0.672 . . . . 15.0 110.387 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 11.45 62.81 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 115.837 1.095 . . . . 15.0 115.837 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.068 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -150.56 177.65 9.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.87 1.835 . . . . 15.0 113.555 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.779 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.2 p -97.6 141.56 30.49 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 113.3 -1.773 . . . . 15.0 112.428 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 26.3 p90 -121.93 145.52 48.02 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.483 -0.932 . . . . 15.0 108.483 175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -95.73 121.86 37.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.964 0.411 . . . . 15.0 110.609 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -107.01 123.05 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.367 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.442 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.3 t-20 -98.56 130.28 45.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.011 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.466 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 55.5 m-80 -80.56 -15.58 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.814 0.672 . . . . 15.0 112.814 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 -57.19 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.413 0.625 . . . . 15.0 110.089 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -95.83 -6.54 39.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.429 -0.805 . . . . 15.0 111.465 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.55 35.35 22.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.42 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.442 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -99.05 150.05 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.691 -173.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 8.7 m -122.84 116.83 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.152 178.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.0 t -130.85 150.26 52.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 15.0 110.697 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -91.92 6.17 47.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.464 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.85 145.36 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.073 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.548 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 69.3 tttt -68.86 126.26 92.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.823 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 31.8 Cg_exo -60.39 147.44 94.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.275 2.65 . . . . 15.0 112.411 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.17 -23.96 60.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 15.0 110.14 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.426 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.5 pm0 -81.33 -2.28 48.53 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.828 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.548 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.7 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.883 0.373 . . . . 15.0 110.437 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.564 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 16.3 tp10 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 121.678 0.751 . . . . 15.0 109.607 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.482 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 49.6 m95 -106.92 143.72 34.6 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.399 -0.818 . . . . 15.0 110.382 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -109.08 138.78 44.9 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.087 -1.415 . . . . 15.0 109.001 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.54 125.57 53.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.682 0.753 . . . . 15.0 110.552 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.6 m-85 -113.89 128.91 56.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.182 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.039 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -90.03 115.09 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 15.0 109.215 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.76 150.94 22.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.652 -1.158 . . . . 15.0 110.78 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -36.36 -32.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.454 1.279 . . . . 15.0 114.454 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.33 -5.65 11.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.89 0.376 . . . . 15.0 111.372 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 27.45 20.59 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 119.477 -0.624 . . . . 15.0 114.594 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.039 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -152.12 173.04 15.42 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.352 1.076 . . . . 15.0 112.066 168.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 15.0 p -98.08 142.76 29.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.461 -1.245 . . . . 15.0 113.03 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -117.23 147.02 42.89 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.013 -1.106 . . . . 15.0 108.013 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.413 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 32.0 m-85 -101.46 133.52 45.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.403 0.621 . . . . 15.0 111.768 -169.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 77.3 t80 -121.18 121.95 38.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.265 -0.88 . . . . 15.0 110.992 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.564 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.07 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.932 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.06 -29.41 39.18 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.576 0.547 . . . . 15.0 112.394 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.517 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 26.3 mtm180 -61.9 -61.93 2.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.122 0.487 . . . . 15.0 111.125 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 8.5 p -93.45 -4.72 50.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.95 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 62.92 32.07 15.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.998 0.427 . . . . 15.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.2 pt-20 -97.14 133.63 41.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.09 0.472 . . . . 15.0 110.821 -174.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.6 p -114.24 120.59 40.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.907 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.1 t -141.41 150.14 41.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.95 0.405 . . . . 15.0 110.48 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -83.45 -1.83 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.891 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.08 145.8 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.088 -0.506 . . . . 15.0 110.677 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -64.98 126.1 90.51 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.635 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.509 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_exo -60.96 150.61 83.07 Favored 'Trans proline' 0 N--CA 1.476 0.471 0 C-N-CA 123.541 2.827 . . . . 15.0 113.288 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.05 -40.55 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.754 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.475 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.6 pm0 -79.98 2.28 24.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.154 178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 22.4 tp . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.07 0.462 . . . . 15.0 110.097 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.719 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.8 tt0 . . . . . 0 N--CA 1.447 -0.625 0 CA-C-O 121.167 0.508 . . . . 15.0 110.645 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.483 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 31.7 m95 -119.79 150.24 40.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 122.114 0.959 . . . . 15.0 111.757 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.8 m -131.28 148.39 52.68 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.625 -1.625 . . . . 15.0 109.067 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.31 140.88 52.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.387 0.613 . . . . 15.0 111.083 -178.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 445' ' ' THR . 81.8 m-85 -136.81 138.78 41.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.011 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.928 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.95 116.41 27.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.723 0.773 . . . . 15.0 109.578 -178.261 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.78 150.83 22.1 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.312 -1.313 . . . . 15.0 110.309 -177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.23 -1.47 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.0 -5.55 49.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.59 0.71 . . . . 15.0 109.184 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 19.7 44.7 Favored Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 114.855 -1.066 . . . . 15.0 113.841 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.928 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.9 mtmm -153.15 175.83 12.6 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 118.392 1.096 . . . . 15.0 112.927 171.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.66 HG21 ' HZ1' ' A' ' 439' ' ' LYS . 13.2 p -99.46 140.87 33.0 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 114.478 -1.237 . . . . 15.0 112.178 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -110.98 146.57 36.42 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.268 -0.878 . . . . 15.0 108.648 175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -100.67 124.07 45.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.256 0.55 . . . . 15.0 110.967 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 78.3 t80 -113.71 125.41 54.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.985 -1.007 . . . . 15.0 110.871 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.719 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.2 t-20 -92.8 129.37 38.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.554 -0.536 . . . . 15.0 109.554 177.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.41 -24.2 50.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 -172.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.443 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.8 mtm105 -76.72 -46.05 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.564 -0.454 . . . . 15.0 111.383 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.5 p -94.92 -14.04 24.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.836 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.22 36.24 12.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.945 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.3 pt-20 -102.54 150.05 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.75 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 m -124.33 123.71 40.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.992 0.425 . . . . 15.0 110.65 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.9 t -136.15 150.12 48.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.305 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -90.52 4.43 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 15.0 111.115 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.56 139.17 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.049 -0.722 . . . . 15.0 109.049 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 23.4 ttmm -75.74 116.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.402 -0.363 . . . . 15.0 111.203 -175.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 2.7 Cg_endo -50.48 145.53 21.76 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.653 2.902 . . . . 15.0 112.735 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.06 -29.86 70.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.2 -0.909 . . . . 15.0 111.439 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -82.26 -3.48 55.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.769 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 15.0 111.417 -175.831 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 451' ' ' ARG . 9.6 tp10 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.44 0.638 . . . . 15.0 110.314 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.489 ' NE1' ' HB3' ' A' ' 460' ' ' PRO . 43.6 m95 -102.47 150.01 23.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.734 0.778 . . . . 15.0 111.589 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -124.76 135.88 53.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.064 -1.425 . . . . 15.0 109.51 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -116.35 134.26 55.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.571 0.701 . . . . 15.0 111.599 -177.221 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 445' ' ' THR . 79.6 m-85 -127.18 138.71 53.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.3 -0.864 . . . . 15.0 108.782 174.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.0 tppt? -89.88 116.7 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.454 0.645 . . . . 15.0 109.779 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 442' ' ' ASP . 1.2 p -89.76 151.0 22.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.766 -1.106 . . . . 15.0 110.502 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.87 0.27 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.936 1.087 . . . . 15.0 113.936 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 440' ' ' THR . 2.7 p-10 -78.46 -6.29 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.863 -0.791 . . . . 15.0 108.863 170.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 15.48 57.06 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.808 -1.087 . . . . 15.0 113.65 177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 1.015 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -148.07 175.5 10.97 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 122.338 1.066 . . . . 15.0 113.164 173.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.709 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -99.35 143.26 29.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.61 -1.632 . . . . 15.0 111.88 -174.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.04 142.41 47.86 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 68.7 m-85 -101.1 122.92 44.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.299 0.571 . . . . 15.0 111.579 -171.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -106.39 121.97 45.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.227 -0.897 . . . . 15.0 110.242 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.15 125.25 35.38 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -78.88 -3.22 43.59 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.246 0.966 . . . . 15.0 112.687 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 434' ' ' GLU . 22.6 mtm180 -95.98 -56.29 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 15.0 110.531 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 p -89.66 -0.48 57.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.667 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.2 32.64 20.92 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.996 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -108.27 141.87 39.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.517 -0.473 . . . . 15.0 111.277 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -117.51 112.18 20.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.164 0.506 . . . . 15.0 110.385 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.1 t -131.56 150.15 52.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.244 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -84.44 -6.63 59.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.4 -0.364 . . . . 15.0 110.802 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.54 122.75 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.762 ' HB2' ' HZ3' ' A' ' 459' ' ' LYS . 4.2 ttmp? -67.54 121.86 80.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 15.0 110.315 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.489 ' HB3' ' NE1' ' A' ' 435' ' ' TRP . 1.8 Cg_endo -44.81 146.59 2.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 124.111 3.207 . . . . 15.0 113.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -57.97 -33.95 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.418 0.628 . . . . 15.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.35 -1.76 25.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.836 -1.074 . . . . 15.0 111.881 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.6 tp . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 112.444 0.535 . . . . 15.0 112.444 -176.632 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.282 0.563 . . . . 15.0 110.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.458 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 35.6 m95 -109.35 139.52 44.2 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.357 177.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.6 m -101.14 145.1 29.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.497 -1.229 . . . . 15.0 109.654 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.34 135.47 55.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.295 0.569 . . . . 15.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.0 m-85 -132.72 135.28 45.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.993 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.93 109.36 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.646 -0.872 . . . . 15.0 108.646 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.89 150.81 22.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.733 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.62 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.396 1.628 . . . . 15.0 115.396 -173.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -82.36 -1.78 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.644 -0.66 . . . . 15.0 109.506 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.26 55.8 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.058 -0.974 . . . . 15.0 114.07 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.993 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.6 mtmm -147.54 172.3 14.2 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 118.292 1.046 . . . . 15.0 112.886 175.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.75 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 p -99.2 140.23 33.68 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 114.425 -1.261 . . . . 15.0 112.015 -175.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -112.04 147.87 35.07 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.918 -1.141 . . . . 15.0 107.918 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 455' ' ' SER . 43.2 m-85 -108.62 124.94 51.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.194 0.521 . . . . 15.0 111.099 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 32.3 t80 -109.1 118.12 35.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.939 -1.028 . . . . 15.0 110.482 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.5 t-20 -90.15 126.45 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.352 -0.24 . . . . 15.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -81.12 0.31 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 124.06 0.85 . . . . 15.0 112.825 -172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -91.68 -29.86 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.322 0.582 . . . . 15.0 110.445 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.2 p -130.09 -0.19 4.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.567 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.422 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 59.39 29.41 18.97 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.178 -177.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -95.5 128.99 42.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 15.0 111.215 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 1.5 m -105.98 119.91 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.436 HG21 ' CZ3' ' A' ' 435' ' ' TRP . 4.9 t -136.19 150.28 48.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 15.0 110.575 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -89.55 -12.66 39.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.553 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.55 129.53 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 44.5 tttp -59.9 116.03 15.39 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 123.461 0.476 . . . . 15.0 110.908 -174.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.5 Cg_exo -59.59 157.23 32.96 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 123.748 2.965 . . . . 15.0 113.863 -172.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 461' ' ' GLN . 0.9 OUTLIER -64.08 -44.27 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.535 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.421 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.4 pm0 -83.33 6.58 19.3 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.513 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 27.2 tp . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.855 0.359 . . . . 15.0 110.643 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.578 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 38.9 tt0 . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.059 0.457 . . . . 15.0 110.026 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -121.95 150.39 42.1 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.238 1.018 . . . . 15.0 112.049 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.2 m -122.4 141.63 51.38 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.817 -1.538 . . . . 15.0 109.135 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.65 132.62 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.431 0.634 . . . . 15.0 111.475 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.5 m-85 -126.74 133.96 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 15.0 109.853 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.938 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.6 tppp? -90.09 121.23 31.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.297 0.57 . . . . 15.0 109.59 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 p -89.62 150.82 22.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.213 -0.903 . . . . 15.0 110.342 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.29 -14.23 0.16 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.362 1.245 . . . . 15.0 114.362 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.11 -4.04 39.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.686 0.755 . . . . 15.0 110.138 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 30.06 13.46 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.144 -0.934 . . . . 15.0 114.712 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.938 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.6 mttp -150.57 167.72 26.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 118.763 1.281 . . . . 15.0 112.57 170.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.745 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 17.8 p -95.0 140.85 29.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.645 -1.161 . . . . 15.0 112.259 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -114.98 141.02 48.55 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.747 -1.205 . . . . 15.0 107.747 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 455' ' ' SER . 55.5 m-85 -93.8 123.28 37.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.395 0.616 . . . . 15.0 111.172 -173.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.796 ' HH ' ' HG2' ' A' ' 453' ' ' GLU . 15.4 t80 -109.51 119.94 40.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.778 -1.101 . . . . 15.0 110.319 -175.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.759 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 16.3 t-20 -93.44 125.19 37.92 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.401 -0.818 . . . . 15.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -75.85 -12.86 60.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 39.4 mtm180 -68.15 -56.13 9.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.893 0.378 . . . . 15.0 110.472 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 453' ' ' GLU . 44.1 p -119.03 3.58 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 15.0 111.367 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.796 ' HG2' ' HH ' ' A' ' 448' ' ' TYR . 49.2 mt-10 67.54 33.01 5.33 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.5 0.5 . . . . 15.0 110.353 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.759 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.3 pt-20 -89.62 127.04 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.289 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 12.5 p -113.87 125.91 54.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.191 -0.458 . . . . 15.0 111.137 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.0 t -144.07 150.33 38.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.15 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -81.13 -1.57 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.183 0.516 . . . . 15.0 110.112 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -80.53 127.87 32.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.015 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 6.8 tttm -64.19 124.8 86.64 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.283 -0.417 . . . . 15.0 110.74 -176.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.3 Cg_exo -65.59 158.25 54.19 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.352 2.701 . . . . 15.0 113.626 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.21 -39.48 94.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.091 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 434' ' ' GLU . 0.0 OUTLIER -80.09 2.45 23.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.411 -0.813 . . . . 15.0 111.621 -178.218 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.446 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 15.9 tp . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 15.0 109.929 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.73 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.95 0.405 . . . . 15.0 110.914 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 24.8 m95 -119.26 150.48 40.03 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.056 0.931 . . . . 15.0 112.268 -177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.6 m -130.7 141.07 50.39 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.633 -1.621 . . . . 15.0 109.148 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.11 130.99 57.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.655 0.741 . . . . 15.0 111.507 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.9 m-85 -120.87 133.38 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 15.0 109.606 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.898 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 122.25 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 15.0 109.79 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -89.94 150.67 22.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.281 -0.872 . . . . 15.0 109.859 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.75 -11.46 0.22 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.04 1.126 . . . . 15.0 114.04 -172.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.54 -1.37 30.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.296 0.569 . . . . 15.0 109.996 174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.37 26.65 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.474 -0.785 . . . . 15.0 114.895 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.898 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.1 mtmm -149.86 168.43 23.76 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 118.614 1.207 . . . . 15.0 113.846 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -100.33 144.14 29.69 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.278 -1.328 . . . . 15.0 112.736 -173.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 43.2 p90 -119.3 141.9 48.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.597 -1.183 . . . . 15.0 108.299 173.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -98.67 125.93 44.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.477 0.656 . . . . 15.0 111.386 -172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 64.9 t80 -110.32 120.44 42.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.846 -176.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.73 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.2 t-20 -90.06 126.89 35.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.45 -0.574 . . . . 15.0 109.45 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.96 -2.82 41.87 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.78 0.659 . . . . 15.0 112.78 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -91.58 -56.19 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.181 0.515 . . . . 15.0 109.822 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.0 p -88.31 -9.26 53.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.685 -0.688 . . . . 15.0 111.381 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 61.61 33.5 18.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.409 0.623 . . . . 15.0 109.735 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.682 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -93.0 130.51 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.482 -0.781 . . . . 15.0 111.179 -172.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.6 p -101.77 106.96 18.03 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.197 -0.91 . . . . 15.0 109.766 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -131.48 150.06 52.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.961 0.41 . . . . 15.0 110.577 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -88.33 1.33 54.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.42 127.1 32.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 81.2 tttt -77.15 118.37 71.48 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.202 0.525 . . . . 15.0 111.903 -171.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.6 Cg_endo -46.26 143.79 7.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.466 3.444 . . . . 15.0 113.963 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -64.45 -40.68 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.092 -0.958 . . . . 15.0 110.909 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.7 -0.77 21.95 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.192 -0.913 . . . . 15.0 112.483 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.418 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.5 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 15.0 110.77 -175.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.438 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 10.6 tp10 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 15.0 110.042 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -101.39 150.24 23.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.971 0.891 . . . . 15.0 111.641 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.2 m -127.65 140.12 52.29 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.877 -1.51 . . . . 15.0 109.242 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.59 130.28 56.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.73 0.776 . . . . 15.0 111.581 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 445' ' ' THR . 96.4 m-85 -123.69 136.36 54.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.724 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -89.87 116.71 28.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.272 -0.64 . . . . 15.0 109.272 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.66 150.81 22.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.559 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.43 -24.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.361 1.245 . . . . 15.0 114.361 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -66.17 -9.83 35.49 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.382 0.61 . . . . 15.0 110.445 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.44 28.38 17.12 Favored Glycine 0 N--CA 1.437 -1.286 0 CA-C-N 115.459 -0.791 . . . . 15.0 114.106 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.995 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.3 mtmm -153.01 172.3 17.05 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.517 1.158 . . . . 15.0 112.488 168.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.734 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -98.26 143.09 29.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.307 -1.315 . . . . 15.0 112.892 -173.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -123.93 145.72 48.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.531 -1.213 . . . . 15.0 107.991 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.506 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 55.9 m-85 -100.07 128.68 46.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.402 0.62 . . . . 15.0 111.416 -172.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -117.87 123.06 44.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.125 -0.943 . . . . 15.0 111.041 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.646 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.0 t-20 -90.25 126.73 35.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.79 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.424 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 42.4 m-80 -77.3 -14.67 59.7 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.201 0.815 . . . . 15.0 113.201 -171.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 42.7 mtm-85 -81.64 -63.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.228 0.537 . . . . 15.0 110.728 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.8 p -86.49 -5.23 59.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.453 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 62.61 35.33 14.39 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.646 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.7 pt-20 -97.22 129.68 44.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.878 -173.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.9 p -113.7 119.64 38.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -141.41 150.31 42.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 15.0 110.463 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.35 -6.75 58.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.986 0.422 . . . . 15.0 110.721 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -76.78 138.04 39.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.84 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.674 ' HB2' ' HZ3' ' A' ' 459' ' ' LYS . 3.6 ttmp? -69.78 129.78 90.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.563 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 25.2 Cg_exo -61.85 147.86 94.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.008 2.472 . . . . 15.0 112.533 -176.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.73 -23.84 67.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.572 -0.74 . . . . 15.0 111.212 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -100.01 4.18 44.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.728 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.7 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.235 0.54 . . . . 15.0 110.238 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.014 -0.434 . . . . 15.0 112.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.44 126.68 31.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.958 0.409 . . . . 15.0 111.004 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.4 p -105.86 150.14 25.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.594 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 71.83 143.92 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.851 0.72 . . . . 15.0 111.634 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.2 m -64.17 107.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.523 -0.762 . . . . 15.0 112.121 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 435' ' ' TRP . 5.8 p -113.86 107.37 15.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.597 -0.728 . . . . 15.0 110.556 175.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.774 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 24.0 tt0 72.98 -29.97 0.21 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.201 1.0 . . . . 15.0 112.115 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 433' ' ' SER . 60.3 m95 -113.11 150.41 32.18 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.684 0.754 . . . . 15.0 111.377 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.0 m -133.18 133.18 42.47 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.032 -1.44 . . . . 15.0 109.644 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.592 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -115.85 139.62 50.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.768 0.794 . . . . 15.0 112.033 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.5 m-85 -126.98 138.79 53.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.856 -1.066 . . . . 15.0 108.888 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.965 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.3 tppp? -90.03 115.65 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 15.0 109.258 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.87 150.71 22.1 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.041 -0.981 . . . . 15.0 110.493 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.45 -8.16 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.72 1.007 . . . . 15.0 113.72 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.48 -5.06 37.64 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.679 0.752 . . . . 15.0 109.466 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 17.2 53.82 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 114.683 -1.144 . . . . 15.0 114.072 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.965 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.0 mtmm -152.08 173.84 14.43 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.858 1.329 . . . . 15.0 113.469 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.724 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 5.9 p -98.21 140.91 31.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 114.202 -1.363 . . . . 15.0 112.532 -175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -117.9 141.6 48.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 15.0 108.951 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.6 m-85 -98.34 126.8 43.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 15.0 111.534 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 83.5 t80 -114.34 123.11 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 15.0 110.643 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.774 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.4 t-20 -92.08 126.93 37.36 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -81.25 -7.61 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.902 0.751 . . . . 15.0 112.929 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.423 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.0 mtm105 -91.62 -50.68 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 15.0 110.677 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.9 p -88.93 -12.63 41.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.841 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 66.4 34.38 6.31 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.511 0.507 . . . . 15.0 110.188 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.541 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.0 pt-20 -105.52 139.71 39.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.971 0.415 . . . . 15.0 111.146 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.8 p -119.29 113.94 21.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.567 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.2 t -134.0 150.21 51.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.488 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -84.74 -3.3 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.894 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -83.68 134.47 34.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.213 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.768 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 83.5 tttt -64.25 125.29 87.94 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.832 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.5 Cg_exo -61.96 156.16 50.94 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 C-N-CA 123.532 2.821 . . . . 15.0 113.354 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.14 -35.54 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.934 0.874 . . . . 15.0 109.979 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.8 pm0 -87.21 8.87 22.07 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.778 -1.101 . . . . 15.0 111.444 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.07 17.94 2.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.44 0.638 . . . . 15.0 110.112 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.768 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 18.2 ptmt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.521 -0.752 . . . . 15.0 110.3 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.544 -0.622 . . . . 15.0 111.544 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.81 114.95 27.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.047 0.424 . . . . 15.0 110.916 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.4 m -86.5 110.08 19.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.911 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -142.13 125.23 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.822 0.344 . . . . 15.0 110.825 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.57 124.18 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.753 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 53.5 p -155.34 138.99 16.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.735 -0.666 . . . . 15.0 109.422 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.53 -30.18 64.97 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.622 0.249 . . . . 15.0 111.435 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.444 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 53.2 m95 -125.99 150.39 48.09 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.932 0.872 . . . . 15.0 111.599 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.9 m -135.98 136.02 40.01 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 113.696 -1.593 . . . . 15.0 109.215 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -113.35 137.96 50.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.569 0.7 . . . . 15.0 111.689 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.557 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -129.62 138.22 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.983 -1.008 . . . . 15.0 109.384 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.948 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.8 tppt? -91.05 120.93 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.69 150.63 22.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.46 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.11 -20.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.347 1.24 . . . . 15.0 114.347 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.41 -3.76 29.37 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.644 0.735 . . . . 15.0 110.056 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 27.56 20.37 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.08 -0.963 . . . . 15.0 114.684 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.948 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.2 mtmm -151.46 169.65 21.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.821 1.311 . . . . 15.0 113.263 170.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.754 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -99.8 145.57 27.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 114.417 -1.265 . . . . 15.0 112.497 -173.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -125.06 146.27 49.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.069 -0.969 . . . . 15.0 108.785 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 48.9 m-85 -97.18 125.7 41.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.561 0.696 . . . . 15.0 111.415 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -113.56 121.71 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.117 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.528 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.6 t-20 -90.95 126.84 36.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.283 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.45 -4.94 58.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.488 0.551 . . . . 15.0 112.488 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -79.52 -57.45 3.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.609 0.718 . . . . 15.0 109.376 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -99.15 -8.51 25.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.224 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 64.08 38.85 8.18 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.554 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -97.57 136.07 38.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.776 -177.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.7 p -109.73 121.37 45.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.472 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.6 t -139.56 150.18 44.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.892 0.377 . . . . 15.0 110.793 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -87.43 -1.69 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.106 0.479 . . . . 15.0 110.26 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.26 147.31 31.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 15.0 109.821 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.78 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 13.0 ttmm -89.1 115.55 63.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.941 0.401 . . . . 15.0 111.049 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.2 Cg_endo -54.04 149.41 35.25 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 124.065 3.177 . . . . 15.0 113.316 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.99 -33.84 76.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.316 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.76 -40.64 95.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.93 -1.032 . . . . 15.0 111.879 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.0 tp -128.66 64.93 1.43 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.488 0.661 . . . . 15.0 110.567 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.78 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 15.0 111.421 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 CA-C-O 121.065 0.258 . . . . 15.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.85 26.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.449 -0.574 . . . . 15.0 109.449 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 94.69 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.367 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.63 92.04 8.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.525 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.6 m -96.35 93.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 15.0 111.052 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.9 p -98.08 144.77 27.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.538 -0.756 . . . . 15.0 110.224 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.715 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 16.8 tt0 -76.5 -24.05 53.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.443 0.64 . . . . 15.0 109.577 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.419 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 28.6 m95 -106.68 150.11 26.58 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-O 121.946 0.879 . . . . 15.0 110.731 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 95.1 m -122.98 137.01 55.07 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.162 -1.381 . . . . 15.0 109.191 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.77 132.79 56.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.654 0.74 . . . . 15.0 111.528 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.7 m-85 -125.43 133.19 52.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.117 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.032 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 2.7 tppp? -90.1 114.61 26.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.57 150.9 22.21 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.65 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.78 -17.64 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.095 1.146 . . . . 15.0 114.095 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -0.34 14.39 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.327 0.584 . . . . 15.0 110.445 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 24.06 29.92 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.09 -0.959 . . . . 15.0 114.994 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.032 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 11.2 mttp -154.19 173.42 16.13 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.998 1.399 . . . . 15.0 112.522 173.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.768 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -96.99 145.16 26.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.455 -1.248 . . . . 15.0 111.717 -177.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -119.76 139.14 52.76 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.167 -1.049 . . . . 15.0 108.167 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.624 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 26.0 m-85 -96.32 129.56 43.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 15.0 111.266 -172.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 59.3 t80 -120.93 124.39 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.784 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.715 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.4 t-20 -89.74 125.66 35.37 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -77.13 -15.41 59.56 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -98.4 -24.57 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.276 -0.57 . . . . 15.0 111.989 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 28.5 p -107.8 -10.17 15.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.614 0.245 . . . . 15.0 111.051 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 65.96 27.87 10.69 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.942 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.562 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.1 pt-20 -98.02 127.22 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.146 -0.621 . . . . 15.0 111.23 -173.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.4 p -111.69 115.88 29.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.4 t -146.14 150.37 35.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.459 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.943 0.402 . . . . 15.0 110.775 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.52 137.57 38.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.748 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 51.4 tttp -66.76 128.69 93.97 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.119 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.624 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 18.9 Cg_exo -66.22 153.57 77.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.229 2.619 . . . . 15.0 113.304 -175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 43.8 tt0 -68.94 -34.23 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.84 . . . . 15.0 111.188 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -0.91 57.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.591 -0.731 . . . . 15.0 111.427 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.66 16.86 8.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.013 -0.539 . . . . 15.0 109.794 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 4.1 ptmm? . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.88 -0.488 . . . . 15.0 111.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -112.23 80.28 1.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.132 0.492 . . . . 15.0 110.487 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 23.3 m -83.05 84.7 7.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.932 -0.576 . . . . 15.0 110.715 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -109.97 103.09 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.127 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.46 153.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 15.0 109.827 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.8 p -65.67 145.09 56.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.055 -0.35 . . . . 15.0 110.055 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.543 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 11.5 tp10 -56.5 -30.1 62.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.247 0.546 . . . . 15.0 111.173 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 34.0 m95 -111.67 150.13 30.59 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 121.846 0.831 . . . . 15.0 110.617 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.6 m -123.36 127.62 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.895 -1.502 . . . . 15.0 109.203 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -104.38 124.21 48.8 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.707 0.765 . . . . 15.0 111.025 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.7 m-85 -112.43 130.87 55.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.368 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.951 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 9.4 tppt? -90.05 119.84 30.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.947 -0.76 . . . . 15.0 108.947 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.58 150.91 22.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.537 -174.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.08 -21.89 0.05 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.078 1.14 . . . . 15.0 114.078 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.88 -8.66 55.7 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.437 0.637 . . . . 15.0 110.185 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.28 12.42 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 115.467 0.947 . . . . 15.0 115.467 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.951 ' HA ' ' HD2' ' A' ' 439' ' ' LYS 0.257 14.6 mttp -147.9 174.72 11.59 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 119.202 1.501 . . . . 15.0 112.503 165.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.709 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -102.73 148.21 25.88 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.787 -1.551 . . . . 15.0 112.46 -173.566 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.96 144.85 50.4 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.83 127.22 43.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.089 0.471 . . . . 15.0 112.066 -170.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.5 t80 -110.41 122.64 48.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.59 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.543 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.4 t-20 -93.25 137.04 32.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.407 -0.36 . . . . 15.0 110.4 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.73 10.14 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 15.0 112.464 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.537 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 30.2 mtm-85 -102.49 -31.63 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 15.0 110.519 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -117.84 -6.03 11.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.846 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.38 47.92 15.69 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.326 0.391 . . . . 15.0 110.52 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -116.84 145.93 43.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.062 0.458 . . . . 15.0 111.266 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.2 p -117.91 123.3 45.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.613 -0.722 . . . . 15.0 110.149 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.9 t -131.62 150.08 52.27 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -93.67 -6.45 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.371 . . . . 15.0 110.93 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -89.39 133.79 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 15.0 109.941 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.5 tttm -67.49 119.78 68.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 15.0 109.809 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.2 Cg_exo -68.11 146.78 71.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 123.04 2.493 . . . . 15.0 112.743 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 122.075 0.94 . . . . 15.0 109.44 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.8 -17.0 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.719 -1.582 . . . . 15.0 111.613 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.5 tp -147.76 70.51 1.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.383 0.611 . . . . 15.0 110.338 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.1 pttm . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.199 -0.905 . . . . 15.0 110.33 -177.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.821 -0.512 . . . . 15.0 111.821 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -162.86 110.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.707 0.289 . . . . 15.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 31.5 m -111.14 127.03 55.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.489 -0.323 . . . . 15.0 110.38 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -128.0 119.54 25.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.026 0.441 . . . . 15.0 110.522 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.8 m -94.94 111.91 26.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.542 0.687 . . . . 15.0 110.576 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.9 p -131.65 117.96 19.38 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.539 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.746 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.6 tt0 -73.95 -29.92 62.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.237 0.541 . . . . 15.0 110.31 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.519 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 42.0 m95 -113.62 150.14 33.56 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.734 0.778 . . . . 15.0 110.523 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 64.8 m -126.84 134.71 50.47 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.058 -1.428 . . . . 15.0 109.756 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.511 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -112.95 130.34 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.428 0.633 . . . . 15.0 111.12 179.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.0 m-85 -118.84 131.56 56.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.989 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -90.25 114.78 26.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.61 150.65 22.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.854 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.25 -18.64 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.443 1.275 . . . . 15.0 114.443 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.14 -2.16 23.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.409 0.623 . . . . 15.0 110.371 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 26.89 22.14 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.203 -0.908 . . . . 15.0 114.802 172.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.989 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -153.65 169.24 23.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.705 1.253 . . . . 15.0 113.103 171.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.756 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -98.21 148.4 23.63 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 114.501 -1.227 . . . . 15.0 112.367 -177.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.8 p90 -126.01 148.79 49.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.985 -1.007 . . . . 15.0 108.432 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 69.8 m-85 -105.09 126.33 51.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 15.0 111.815 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 69.2 t80 -114.15 124.43 52.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.737 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.746 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.24 134.6 34.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -90.48 -1.19 57.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.996 0.739 . . . . 15.0 112.996 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.451 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.5 mtm180 -100.49 -45.34 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.871 -0.518 . . . . 15.0 111.413 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.4 p -91.23 -17.41 26.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.826 0.346 . . . . 15.0 110.454 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.15 64.69 0.95 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.323 -0.853 . . . . 15.0 110.423 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 15.5 pt-20 -135.31 141.91 45.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.432 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.1 p -119.04 113.2 20.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.165 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.2 t -133.17 150.55 52.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.245 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.533 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 82.5 m95 -87.53 -3.3 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.367 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -81.67 136.68 35.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.963 -0.755 . . . . 15.0 108.963 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 39.5 tttm -72.22 115.29 37.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.866 0.365 . . . . 15.0 111.009 -172.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 435' ' ' TRP . 5.0 Cg_exo -42.95 134.05 5.63 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 124.41 3.407 . . . . 15.0 113.709 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.4 -44.76 76.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.969 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -68.61 -4.52 15.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.843 -1.072 . . . . 15.0 111.952 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 16.2 tp -146.13 29.58 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 15.0 110.019 -171.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 4.6 ptmm? . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.855 -0.612 . . . . 15.0 111.564 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.308 -0.317 . . . . 15.0 112.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -121.11 94.46 4.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.762 0.315 . . . . 15.0 110.458 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 18.2 m -74.42 128.77 36.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.482 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -77.3 89.44 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 15.0 111.09 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.28 175.36 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.767 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.8 p -58.47 146.29 35.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.205 -0.907 . . . . 15.0 109.707 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.78 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 11.7 tt0 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.361 0.601 . . . . 15.0 110.367 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -109.95 150.06 29.02 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.934 0.873 . . . . 15.0 110.732 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.9 m -122.94 134.06 54.36 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 113.932 -1.486 . . . . 15.0 109.379 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 132.59 54.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.638 0.733 . . . . 15.0 111.512 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' A' ' 445' ' ' THR . 83.3 m-85 -128.59 135.06 48.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.362 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.008 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.7 tppp? -89.81 114.53 26.27 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.972 -0.751 . . . . 15.0 108.972 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.79 150.95 22.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.805 -1.088 . . . . 15.0 110.808 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.46 -16.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.23 1.196 . . . . 15.0 114.23 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -73.53 -1.67 19.54 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.83 -0.544 . . . . 15.0 110.369 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 22.08 35.6 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.468 -0.787 . . . . 15.0 114.7 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.008 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -153.94 172.96 16.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.745 1.272 . . . . 15.0 112.854 172.192 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -95.86 143.09 27.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 114.414 -1.266 . . . . 15.0 112.283 -176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 31.9 p90 -115.95 148.56 39.95 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.927 -1.138 . . . . 15.0 107.927 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.412 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 41.1 m-85 -106.71 118.75 37.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 15.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.4 t80 -107.88 126.31 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.576 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.78 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.3 t-20 -89.81 133.45 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -81.66 -24.32 36.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -171.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.417 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.3 mtm180 -84.85 -55.82 3.89 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 15.0 111.469 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.1 p -76.4 -24.51 54.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.163 0.506 . . . . 15.0 110.151 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 34.2 mt-10 61.92 75.32 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.724 -1.125 . . . . 15.0 110.61 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.9 pt-20 -145.42 145.96 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.754 -1.112 . . . . 15.0 110.426 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.403 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.6 m -111.04 113.06 25.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.792 0.329 . . . . 15.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.8 t -120.72 150.14 41.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.952 0.406 . . . . 15.0 110.527 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.71 6.93 47.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 15.0 110.42 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -95.13 135.51 36.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.747 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 29.5 tttm -60.52 120.81 55.64 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.61 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.9 Cg_exo -63.2 154.94 64.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.305 2.67 . . . . 15.0 113.204 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' A' ' 464' ' ' LYS . 5.6 tp60 -64.82 -33.94 77.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.769 . . . . 15.0 111.395 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -93.5 3.57 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.317 -179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.422 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 24.6 tp -130.32 19.75 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.722 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.495 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.576 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.371 -0.692 . . . . 15.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.34 81.08 0.21 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.434 0.635 . . . . 15.0 110.794 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 4.1 t -156.5 121.17 4.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.649 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.65 15.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 15.0 110.584 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 435' ' ' TRP . 28.6 t -80.59 72.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.221 0.534 . . . . 15.0 110.39 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 435' ' ' TRP . 23.4 p -99.32 89.82 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.646 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.756 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 71.16 -30.09 0.2 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.843 0.857 . . . . 15.0 111.513 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.518 ' H ' ' C ' ' A' ' 433' ' ' SER . 30.4 m95 -110.58 150.07 29.47 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.45 0.643 . . . . 15.0 110.267 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -120.39 131.21 54.71 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.334 -1.303 . . . . 15.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.03 131.8 56.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.751 0.786 . . . . 15.0 111.625 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.7 m-85 -128.9 135.56 49.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 15.0 109.08 175.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.95 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.1 tppp? -89.8 115.79 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.038 -0.727 . . . . 15.0 109.038 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.92 150.76 22.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.858 -1.065 . . . . 15.0 110.388 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.78 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.475 1.287 . . . . 15.0 114.475 -174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.96 -0.55 21.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.502 0.668 . . . . 15.0 110.137 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 27.83 19.57 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.28 -0.873 . . . . 15.0 114.585 171.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.95 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 21.9 mttp -153.69 167.46 29.51 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.542 1.171 . . . . 15.0 113.245 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.751 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 29.7 p -96.29 140.87 30.34 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.704 -1.135 . . . . 15.0 112.034 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -112.52 144.33 42.16 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.264 -1.013 . . . . 15.0 108.264 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.04 119.27 38.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 15.0 111.294 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 71.9 t80 -106.82 121.52 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.2 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.756 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.3 t-20 -90.08 124.85 35.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.754 -0.461 . . . . 15.0 109.754 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -83.68 8.41 14.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.674 -0.694 . . . . 15.0 112.627 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.465 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 41.7 mtm105 -111.17 -18.26 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.996 -0.44 . . . . 15.0 111.423 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -123.96 -3.98 8.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.481 -0.327 . . . . 15.0 111.236 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 60.99 33.07 19.89 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 16.2 pt-20 -104.23 129.17 52.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.486 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.3 m -103.01 111.05 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.024 -0.535 . . . . 15.0 109.705 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -119.13 150.05 40.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.919 0.39 . . . . 15.0 110.781 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -94.64 5.19 52.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.477 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.4 131.45 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 15.0 109.376 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.928 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 82.5 tttt -68.83 124.3 89.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.0 Cg_exo -64.6 145.96 88.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.794 2.329 . . . . 15.0 112.168 -176.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 30.9 tt0 -70.83 -27.11 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.152 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.42 -2.72 36.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.939 -1.028 . . . . 15.0 111.416 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 27.8 tp -135.12 14.02 3.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.899 0.38 . . . . 15.0 110.749 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.928 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 11.2 ptmm? . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.115 -0.945 . . . . 15.0 111.545 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 112.018 -0.433 . . . . 15.0 112.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.38 93.71 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.996 0.518 . . . . 15.0 111.253 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.8 t -146.62 168.67 20.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.593 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 63.7 76.16 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.386 0.674 . . . . 15.0 111.422 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.64 84.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.973 0.892 . . . . 15.0 110.455 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.4 p -158.73 107.3 1.92 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.5 ' HG2' ' NH1' ' A' ' 451' ' ' ARG . 7.2 tp10 -130.58 -25.34 2.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.743 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.08 150.29 29.59 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.619 0.723 . . . . 15.0 111.045 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.3 m -123.98 135.62 53.77 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.288 -1.324 . . . . 15.0 109.272 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -108.82 134.82 51.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.421 0.629 . . . . 15.0 111.149 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' A' ' 445' ' ' THR . 68.5 m-85 -122.6 134.88 54.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.16 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.017 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.97 116.89 28.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.263 0.554 . . . . 15.0 109.738 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.9 p -89.73 150.83 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.814 -1.084 . . . . 15.0 110.599 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.84 -21.83 0.07 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.364 1.246 . . . . 15.0 114.364 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.74 -2.19 13.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.523 0.678 . . . . 15.0 110.494 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.41 22.83 33.3 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.267 -0.879 . . . . 15.0 114.497 171.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.017 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.4 mtmm -151.11 172.38 15.87 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.73 1.265 . . . . 15.0 112.481 171.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.709 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 p -94.72 141.13 28.98 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.862 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 11.5 p90 -116.81 148.33 41.31 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 173.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 455' ' ' SER . 76.9 m-85 -104.11 127.07 51.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.31 0.576 . . . . 15.0 112.159 -169.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.448 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 87.3 t80 -113.92 125.37 53.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.67 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.758 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.1 t-20 -102.72 131.09 49.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.984 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -84.21 -0.82 53.69 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.012 0.745 . . . . 15.0 113.012 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 21.6 mtm180 -86.13 -33.64 20.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.013 0.435 . . . . 15.0 110.678 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.4 p -132.53 -1.52 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.256 -171.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.448 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 2.1 mp0 64.19 31.3 13.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.555 -174.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.758 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.9 pt-20 -89.94 133.03 35.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.056 0.455 . . . . 15.0 110.771 -173.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 26.1 p -118.43 117.72 29.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.989 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.7 t -132.83 150.3 52.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.482 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.466 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 89.1 m95 -86.92 -1.04 57.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.431 -0.35 . . . . 15.0 111.617 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.75 145.2 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.686 -0.487 . . . . 15.0 109.686 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 464' ' ' LYS . 33.2 tttm -67.77 123.97 88.24 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.181 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.524 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 55.7 Cg_exo -55.78 152.33 35.73 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.784 2.989 . . . . 15.0 113.681 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.89 -38.71 91.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.627 . . . . 15.0 110.774 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -97.05 7.21 47.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.502 -0.772 . . . . 15.0 112.094 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 26.3 tp -136.79 19.01 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.29 0.567 . . . . 15.0 110.408 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.477 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.4 pttm . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.847 -0.597 . . . . 15.0 110.243 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.933 -0.467 . . . . 15.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 54.16 77.04 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.51 . . . . 15.0 111.23 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 22.1 m -102.71 93.04 4.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.525 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -97.75 84.98 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.64 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.5 p -176.41 137.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.32 -0.855 . . . . 15.0 109.611 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.55 95.26 4.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.248 0.547 . . . . 15.0 110.655 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.874 ' HG2' ' HG3' ' A' ' 451' ' ' ARG . 8.5 tp10 -86.87 -15.39 39.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.214 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 30.8 m95 -94.77 150.13 20.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.979 0.895 . . . . 15.0 111.344 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.7 m -124.77 143.55 50.73 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.969 -1.469 . . . . 15.0 109.485 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -114.08 131.53 56.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.569 0.7 . . . . 15.0 111.354 -178.605 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.57 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.5 m-85 -125.15 132.82 53.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 15.0 109.331 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.077 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.4 tppp? -89.91 113.56 25.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.56 150.87 22.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.307 -0.861 . . . . 15.0 110.575 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.84 0.1 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.106 1.151 . . . . 15.0 114.106 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.27 -1.7 4.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.218 0.532 . . . . 15.0 110.749 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 17.02 54.33 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.392 -0.822 . . . . 15.0 114.844 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.077 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -149.65 172.15 15.51 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.971 1.385 . . . . 15.0 113.044 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.791 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -97.74 143.82 27.99 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.386 -1.279 . . . . 15.0 112.474 -174.024 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -125.16 147.32 49.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.682 -1.145 . . . . 15.0 107.972 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 64.7 m-85 -103.03 124.48 48.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 15.0 111.549 -172.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 58.0 t80 -109.58 122.73 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.003 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.8 t-20 -91.14 126.69 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.479 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.426 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 54.2 m-80 -79.68 -16.18 56.18 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.82 0.674 . . . . 15.0 112.82 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.874 ' HG3' ' HG2' ' A' ' 434' ' ' GLU . 50.0 mtm-85 -73.01 -55.96 5.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.2 0.524 . . . . 15.0 110.538 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.6 p -102.32 -2.98 27.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.434 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 62.6 38.04 12.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.115 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.69 130.04 53.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.764 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -111.93 121.99 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.4 -0.364 . . . . 15.0 111.107 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.9 t -139.45 150.41 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.13 -6.78 52.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.056 0.455 . . . . 15.0 110.936 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.39 122.59 32.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.377 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 39.0 ttpt -63.49 128.42 92.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 111.279 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.442 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 52.7 Cg_endo -68.23 159.72 51.99 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.492 2.794 . . . . 15.0 113.653 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.659 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 45.4 tp60 -62.04 -33.29 74.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.823 -1.081 . . . . 15.0 111.246 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.88 1.07 18.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.291 -0.868 . . . . 15.0 111.851 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.0 tp -133.75 18.53 3.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.883 0.373 . . . . 15.0 110.381 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 5.6 ptmm? . . . . . 0 C--O 1.254 1.339 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.372 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.833 -0.507 . . . . 15.0 111.833 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -147.19 105.51 3.78 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.7 t -111.72 124.82 53.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.287 0.565 . . . . 15.0 110.922 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -165.21 99.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.208 -0.906 . . . . 15.0 109.138 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.0 t 55.19 69.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.52 0.676 . . . . 15.0 109.892 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 435' ' ' TRP . 1.1 p -106.07 93.77 4.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.673 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 69.78 -27.67 0.16 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.174 0.99 . . . . 15.0 111.653 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.53 ' H ' ' C ' ' A' ' 433' ' ' SER . 63.9 m95 -101.43 150.35 23.13 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.822 0.82 . . . . 15.0 110.866 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.5 m -124.46 142.36 51.37 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.017 -1.447 . . . . 15.0 109.103 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.38 131.51 54.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.642 0.734 . . . . 15.0 111.566 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.58 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.9 m-85 -130.78 134.94 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.513 -0.767 . . . . 15.0 109.437 175.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.898 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.2 tppp? -91.24 117.89 30.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.8 150.88 22.06 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.463 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.16 -18.3 0.05 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.6 1.333 . . . . 15.0 114.6 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.412 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 7.3 p-10 -75.27 -1.23 22.57 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.347 0.594 . . . . 15.0 110.173 175.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 28.39 18.0 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.313 -0.858 . . . . 15.0 115.018 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.898 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmt -152.4 166.3 32.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.182 0.991 . . . . 15.0 113.441 171.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.725 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 16.1 p -97.03 139.63 32.75 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.449 -1.251 . . . . 15.0 111.806 -176.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -114.13 141.03 48.01 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.28 -1.007 . . . . 15.0 108.28 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 455' ' ' SER . 39.0 m-85 -98.2 119.27 36.57 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.241 0.543 . . . . 15.0 111.028 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 57.9 t80 -106.62 122.52 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.091 -0.958 . . . . 15.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.624 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.4 t-20 -97.01 130.67 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.394 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.47 -2.12 55.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 15.0 112.617 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.48 -26.63 20.83 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.51 . . . . 15.0 110.351 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 13.1 p -132.15 -1.51 3.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.871 -170.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 58.26 27.72 15.59 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.835 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.624 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.8 pt-20 -93.64 146.64 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.626 -0.429 . . . . 15.0 110.978 -171.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 m -123.43 114.64 20.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.78 0.324 . . . . 15.0 110.715 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -124.93 150.18 46.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.175 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.587 ' CZ3' ' HE3' ' A' ' 444' ' ' LYS . 91.8 m95 -94.7 4.65 53.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.191 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -98.11 149.1 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 26.8 tttm -71.04 116.2 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.593 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 36.5 Cg_exo -62.12 153.91 66.18 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.5 2.8 . . . . 15.0 113.286 -175.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -35.26 78.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.823 -178.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.31 1.36 57.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.449 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 25.9 tp -128.08 24.8 5.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.308 0.575 . . . . 15.0 109.726 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.433 ' OXT' ' HG3' ' A' ' 464' ' ' LYS . 23.7 pttm . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.321 -0.847 . . . . 15.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.464 -0.655 . . . . 15.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -120.82 92.82 3.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.853 0.358 . . . . 15.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.9 t -132.94 106.29 7.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.411 0.624 . . . . 15.0 110.423 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -166.33 91.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.231 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 463' ' ' LEU . 3.7 p -138.86 113.98 8.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.218 0.532 . . . . 15.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.6 p -167.8 49.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.659 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 21.9 tt0 -126.31 -22.32 4.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.961 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 48.7 m95 -112.56 150.16 31.72 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.927 0.87 . . . . 15.0 111.227 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 55.5 m -130.69 132.72 45.56 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 113.453 -1.703 . . . . 15.0 109.187 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.0 OUTLIER -117.85 130.59 56.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.833 0.825 . . . . 15.0 111.124 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.7 m-85 -123.36 143.87 49.83 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.966 -1.015 . . . . 15.0 109.208 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.044 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.7 120.19 30.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 178.755 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.76 150.75 22.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.91 -1.041 . . . . 15.0 110.348 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.35 -18.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.791 1.034 . . . . 15.0 113.791 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.05 -7.04 37.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.692 0.758 . . . . 15.0 110.011 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.25 40.88 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 114.904 -1.044 . . . . 15.0 114.747 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.044 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.2 mtmm -148.31 174.55 11.91 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.015 1.407 . . . . 15.0 112.464 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.659 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -96.44 143.75 27.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 114.541 -1.209 . . . . 15.0 112.948 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 46.2 p90 -117.48 149.95 39.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.618 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 77.1 m-85 -101.15 126.08 47.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 15.0 111.495 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 48.2 t80 -115.03 121.77 44.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.848 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.659 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.47 129.72 36.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.203 -0.666 . . . . 15.0 109.203 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -79.99 -13.93 58.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.494 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 35.0 mtm105 -82.08 -55.06 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.913 -0.492 . . . . 15.0 110.67 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -86.49 -11.18 52.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.457 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.49 31.29 14.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.396 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.3 pt-20 -97.54 139.94 32.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.928 -173.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.409 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.2 m -115.56 120.78 40.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.031 -0.531 . . . . 15.0 109.719 176.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -139.34 150.2 45.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.622 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -87.53 -1.93 58.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.341 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.64 128.9 33.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.246 -0.65 . . . . 15.0 109.246 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.504 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.7 tttm -75.17 118.58 71.66 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.06 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.504 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.1 Cg_endo -44.4 150.38 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.585 3.524 . . . . 15.0 113.323 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.07 -31.67 30.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.754 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.68 -14.8 60.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.68 -1.146 . . . . 15.0 110.72 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.442 HD11 HG22 ' A' ' 432' ' ' VAL . 56.0 tp -137.62 66.32 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.741 0.781 . . . . 15.0 109.711 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.06 -178.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.841 -0.503 . . . . 15.0 111.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -136.13 119.53 16.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.801 0.334 . . . . 15.0 110.296 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.8 t -115.99 156.5 26.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.27 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 66.73 102.85 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.868 0.73 . . . . 15.0 111.356 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.22 141.1 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.193 0.521 . . . . 15.0 110.632 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.4 p -77.75 132.55 38.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.43 -0.804 . . . . 15.0 110.161 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 39.9 tt0 -80.9 -27.59 36.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.81 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -120.01 150.41 40.59 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.999 0.904 . . . . 15.0 112.046 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.9 m -121.83 133.12 54.89 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 113.704 -1.589 . . . . 15.0 108.973 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.28 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.378 0.608 . . . . 15.0 111.564 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 445' ' ' THR . 69.0 m-85 -132.75 136.56 46.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.265 176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.031 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.1 tppt? -89.94 116.36 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.74 150.75 22.16 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.713 -1.131 . . . . 15.0 110.091 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.69 -12.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.852 1.056 . . . . 15.0 113.852 -176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -70.04 -6.74 35.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.319 0.58 . . . . 15.0 109.972 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.33 16.01 56.22 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.098 -0.956 . . . . 15.0 114.145 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.031 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.7 mttp -146.76 177.1 9.36 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.53 1.165 . . . . 15.0 112.437 172.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -102.0 144.97 29.95 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.569 -1.651 . . . . 15.0 112.915 -173.132 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -125.85 149.19 48.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.589 -1.263 . . . . 15.0 107.589 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.44 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 67.9 m-85 -107.81 127.35 53.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.449 0.643 . . . . 15.0 111.822 -170.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.505 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 57.4 t80 -105.04 117.83 34.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.705 -1.134 . . . . 15.0 110.396 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.639 ' HB3' ' CG ' ' A' ' 454' ' ' GLU . 15.4 t-20 -91.16 124.96 35.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.749 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -81.25 5.64 16.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.483 -0.78 . . . . 15.0 113.066 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 19.5 mtm180 -83.53 -60.43 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 15.0 109.751 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 54.4 p -113.07 5.46 17.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.895 -1.048 . . . . 15.0 110.735 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.505 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 63.67 36.89 10.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.333 -174.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.639 ' CG ' ' HB3' ' A' ' 449' ' ' ASN . 11.8 pt-20 -90.09 121.05 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.619 . . . . 15.0 109.988 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -109.12 119.87 40.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.643 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -141.97 150.23 41.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 15.0 110.756 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -77.87 -5.04 49.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.339 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -71.22 124.57 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 15.0 110.02 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 79.0 tttt -60.47 130.25 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.393 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 10.4 Cg_exo -69.03 153.24 72.61 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.967 2.445 . . . . 15.0 113.206 -172.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 5.9 tp60 -64.85 -32.58 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.128 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.56 5.95 50.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.904 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.2 tp -136.74 16.82 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 15.0 110.468 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.823 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.386 -0.816 . . . . 15.0 111.591 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.951 0 N-CA-C 112.011 -0.435 . . . . 15.0 112.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 59.36 89.72 0.06 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.033 0.533 . . . . 15.0 111.7 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.0 p -125.42 132.96 52.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.339 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.69 141.65 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 15.0 109.968 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.6 m 39.45 64.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 124.33 1.019 . . . . 15.0 112.778 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.5 p -80.52 114.58 19.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.453 -0.794 . . . . 15.0 111.495 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' A' ' 450' ' ' ASN . 11.4 tp10 -71.24 -22.79 61.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.551 0.691 . . . . 15.0 110.224 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.426 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 56.8 m95 -105.52 150.39 25.38 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.29 -0.868 . . . . 15.0 110.924 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.7 m -130.11 137.95 50.44 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.408 -1.269 . . . . 15.0 109.54 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -114.82 129.74 56.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.546 0.688 . . . . 15.0 111.656 -175.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' A' ' 445' ' ' THR . 73.0 m-85 -125.19 135.06 52.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.562 -0.744 . . . . 15.0 109.67 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.068 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.75 111.32 22.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.2 p -89.87 150.78 22.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.137 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.72 -14.69 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.255 1.206 . . . . 15.0 114.255 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.85 4.69 11.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.51 0.672 . . . . 15.0 110.387 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 11.45 62.81 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 115.837 1.095 . . . . 15.0 115.837 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.068 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -150.56 177.65 9.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.87 1.835 . . . . 15.0 113.555 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.779 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.2 p -97.6 141.56 30.49 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 113.3 -1.773 . . . . 15.0 112.428 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 26.3 p90 -121.93 145.52 48.02 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.483 -0.932 . . . . 15.0 108.483 175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -95.73 121.86 37.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.964 0.411 . . . . 15.0 110.609 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -107.01 123.05 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.367 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.442 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.3 t-20 -98.56 130.28 45.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.011 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.466 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 55.5 m-80 -80.56 -15.58 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.814 0.672 . . . . 15.0 112.814 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 -57.19 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.413 0.625 . . . . 15.0 110.089 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -95.83 -6.54 39.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.429 -0.805 . . . . 15.0 111.465 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.55 35.35 22.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.42 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.442 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -99.05 150.05 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.691 -173.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 8.7 m -122.84 116.83 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.152 178.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.0 t -130.85 150.26 52.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 15.0 110.697 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -91.92 6.17 47.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.464 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.85 145.36 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.073 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.548 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 69.3 tttt -68.86 126.26 92.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.823 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 31.8 Cg_exo -60.39 147.44 94.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.275 2.65 . . . . 15.0 112.411 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 5.9 tp-100 -73.17 -23.96 60.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 15.0 110.14 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.426 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.5 pm0 -81.33 -2.28 48.53 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.828 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.548 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.7 tp -132.1 13.55 4.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.883 0.373 . . . . 15.0 110.437 -176.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 3.3 ptmm? . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.428 -0.796 . . . . 15.0 112.107 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.825 -0.51 . . . . 15.0 111.825 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.86 96.09 9.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.926 0.393 . . . . 15.0 110.814 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.8 m -75.71 135.8 40.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.082 -0.508 . . . . 15.0 109.958 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 63.92 81.55 0.2 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.76 0.662 . . . . 15.0 110.908 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.77 128.42 9.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.966 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.8 p 52.63 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.803 0.841 . . . . 15.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.564 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 16.3 tp10 -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 15.0 109.607 174.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.482 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 49.6 m95 -106.92 143.72 34.6 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.399 -0.818 . . . . 15.0 110.382 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -109.08 138.78 44.9 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.087 -1.415 . . . . 15.0 109.001 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.54 125.57 53.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.682 0.753 . . . . 15.0 110.552 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.6 m-85 -113.89 128.91 56.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.182 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.039 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -90.03 115.09 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 15.0 109.215 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.76 150.94 22.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.652 -1.158 . . . . 15.0 110.78 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -36.36 -32.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.454 1.279 . . . . 15.0 114.454 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.33 -5.65 11.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.89 0.376 . . . . 15.0 111.372 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 27.45 20.59 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 119.477 -0.624 . . . . 15.0 114.594 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.039 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -152.12 173.04 15.42 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.352 1.076 . . . . 15.0 112.066 168.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 15.0 p -98.08 142.76 29.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.461 -1.245 . . . . 15.0 113.03 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -117.23 147.02 42.89 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.013 -1.106 . . . . 15.0 108.013 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.413 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 32.0 m-85 -101.46 133.52 45.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.403 0.621 . . . . 15.0 111.768 -169.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 77.3 t80 -121.18 121.95 38.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.265 -0.88 . . . . 15.0 110.992 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.564 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.07 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.932 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.06 -29.41 39.18 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.576 0.547 . . . . 15.0 112.394 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.517 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 26.3 mtm180 -61.9 -61.93 2.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.122 0.487 . . . . 15.0 111.125 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 8.5 p -93.45 -4.72 50.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.95 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 62.92 32.07 15.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.998 0.427 . . . . 15.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.2 pt-20 -97.14 133.63 41.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.09 0.472 . . . . 15.0 110.821 -174.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.6 p -114.24 120.59 40.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.907 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.1 t -141.41 150.14 41.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.95 0.405 . . . . 15.0 110.48 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -83.45 -1.83 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.891 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.08 145.8 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.088 -0.506 . . . . 15.0 110.677 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -64.98 126.1 90.51 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.635 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.509 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_exo -60.96 150.61 83.07 Favored 'Trans proline' 0 N--CA 1.476 0.471 0 C-N-CA 123.541 2.827 . . . . 15.0 113.288 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.589 ' O ' ' HD2' ' A' ' 464' ' ' LYS . 8.8 tt0 -72.05 -40.55 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.754 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.475 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.6 pm0 -79.98 2.28 24.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.154 178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 22.4 tp -133.87 26.97 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.07 0.462 . . . . 15.0 110.097 -177.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.192 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.521 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 N-CA-C 111.916 -0.474 . . . . 15.0 111.916 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -161.75 77.39 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.116 0.484 . . . . 15.0 109.993 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 82.6 m -102.58 111.02 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.642 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -163.42 81.68 0.46 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.179 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.5 p -105.26 80.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.444 1.116 . . . . 15.0 110.141 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.7 p -164.68 108.97 0.92 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.443 -1.253 . . . . 15.0 108.632 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.719 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.8 tt0 -90.65 -17.97 25.92 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.167 0.508 . . . . 15.0 110.645 -171.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.483 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 31.7 m95 -119.79 150.24 40.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 122.114 0.959 . . . . 15.0 111.757 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.8 m -131.28 148.39 52.68 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.625 -1.625 . . . . 15.0 109.067 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.31 140.88 52.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.387 0.613 . . . . 15.0 111.083 -178.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.586 ' O ' ' HA ' ' A' ' 445' ' ' THR . 81.8 m-85 -136.81 138.78 41.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.011 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.928 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.95 116.41 27.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.723 0.773 . . . . 15.0 109.578 -178.261 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.78 150.83 22.1 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.312 -1.313 . . . . 15.0 110.309 -177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.23 -1.47 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.0 -5.55 49.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.59 0.71 . . . . 15.0 109.184 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 19.7 44.7 Favored Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 114.855 -1.066 . . . . 15.0 113.841 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.928 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.9 mtmm -153.15 175.83 12.6 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 118.392 1.096 . . . . 15.0 112.927 171.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.66 HG21 ' HZ1' ' A' ' 439' ' ' LYS . 13.2 p -99.46 140.87 33.0 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 114.478 -1.237 . . . . 15.0 112.178 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -110.98 146.57 36.42 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.268 -0.878 . . . . 15.0 108.648 175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -100.67 124.07 45.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.256 0.55 . . . . 15.0 110.967 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 78.3 t80 -113.71 125.41 54.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.985 -1.007 . . . . 15.0 110.871 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.719 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.2 t-20 -92.8 129.37 38.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.554 -0.536 . . . . 15.0 109.554 177.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.41 -24.2 50.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 -172.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.443 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.8 mtm105 -76.72 -46.05 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.564 -0.454 . . . . 15.0 111.383 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.5 p -94.92 -14.04 24.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.836 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.22 36.24 12.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.945 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.3 pt-20 -102.54 150.05 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.75 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 m -124.33 123.71 40.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.992 0.425 . . . . 15.0 110.65 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.9 t -136.15 150.12 48.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.305 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -90.52 4.43 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 15.0 111.115 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.56 139.17 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.049 -0.722 . . . . 15.0 109.049 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 23.4 ttmm -75.74 116.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.402 -0.363 . . . . 15.0 111.203 -175.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 2.7 Cg_endo -50.48 145.53 21.76 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.653 2.902 . . . . 15.0 112.735 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.06 -29.86 70.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.2 -0.909 . . . . 15.0 111.439 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -82.26 -3.48 55.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.769 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.8 tp -121.34 1.34 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 15.0 111.417 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.608 ' HZ1' ' HB2' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.561 -0.733 . . . . 15.0 110.774 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 112.394 -0.282 . . . . 15.0 112.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -118.51 110.47 17.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.85 0.357 . . . . 15.0 110.237 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.9 p -86.1 102.7 14.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.237 0.541 . . . . 15.0 111.39 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -88.37 93.32 9.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.001 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 45.3 t -85.64 100.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.593 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.0 p -152.59 122.58 7.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.913 -0.585 . . . . 15.0 109.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 451' ' ' ARG . 9.6 tp10 -77.77 -19.97 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.44 0.638 . . . . 15.0 110.314 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.489 ' NE1' ' HB3' ' A' ' 460' ' ' PRO . 43.6 m95 -102.47 150.01 23.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.734 0.778 . . . . 15.0 111.589 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -124.76 135.88 53.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.064 -1.425 . . . . 15.0 109.51 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -116.35 134.26 55.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.571 0.701 . . . . 15.0 111.599 -177.221 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 445' ' ' THR . 79.6 m-85 -127.18 138.71 53.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.3 -0.864 . . . . 15.0 108.782 174.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 1.015 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.0 tppt? -89.88 116.7 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.454 0.645 . . . . 15.0 109.779 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 442' ' ' ASP . 1.2 p -89.76 151.0 22.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.766 -1.106 . . . . 15.0 110.502 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.87 0.27 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.936 1.087 . . . . 15.0 113.936 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 440' ' ' THR . 2.7 p-10 -78.46 -6.29 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.863 -0.791 . . . . 15.0 108.863 170.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 15.48 57.06 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.808 -1.087 . . . . 15.0 113.65 177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 1.015 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -148.07 175.5 10.97 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 122.338 1.066 . . . . 15.0 113.164 173.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.709 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -99.35 143.26 29.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.61 -1.632 . . . . 15.0 111.88 -174.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.04 142.41 47.86 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 68.7 m-85 -101.1 122.92 44.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.299 0.571 . . . . 15.0 111.579 -171.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -106.39 121.97 45.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.227 -0.897 . . . . 15.0 110.242 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.15 125.25 35.38 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -78.88 -3.22 43.59 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.246 0.966 . . . . 15.0 112.687 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 434' ' ' GLU . 22.6 mtm180 -95.98 -56.29 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 15.0 110.531 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 p -89.66 -0.48 57.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.667 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.2 32.64 20.92 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.996 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -108.27 141.87 39.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.517 -0.473 . . . . 15.0 111.277 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -117.51 112.18 20.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.164 0.506 . . . . 15.0 110.385 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.1 t -131.56 150.15 52.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.244 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -84.44 -6.63 59.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.4 -0.364 . . . . 15.0 110.802 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.54 122.75 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.762 ' HB2' ' HZ3' ' A' ' 459' ' ' LYS . 4.2 ttmp? -67.54 121.86 80.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 15.0 110.315 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.489 ' HB3' ' NE1' ' A' ' 435' ' ' TRP . 1.8 Cg_endo -44.81 146.59 2.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 124.111 3.207 . . . . 15.0 113.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -57.97 -33.95 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.418 0.628 . . . . 15.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.35 -1.76 25.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.836 -1.074 . . . . 15.0 111.881 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.6 tp -126.06 -21.23 4.36 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.444 0.535 . . . . 15.0 112.444 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 12.6 pttm . . . . . 0 C--O 1.247 0.968 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.747 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.795 -0.522 . . . . 15.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 68.25 105.83 0.05 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.192 0.597 . . . . 15.0 112.12 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.0 m 60.55 31.7 20.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.557 -0.747 . . . . 15.0 111.144 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -135.94 97.95 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.605 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.0 p -171.18 122.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.82 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.0 p 58.86 121.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.468 1.107 . . . . 15.0 113.339 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.62 -29.77 70.27 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.501 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.458 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 35.6 m95 -109.35 139.52 44.2 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.357 177.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.6 m -101.14 145.1 29.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.497 -1.229 . . . . 15.0 109.654 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.34 135.47 55.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.295 0.569 . . . . 15.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.0 m-85 -132.72 135.28 45.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.993 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.93 109.36 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.646 -0.872 . . . . 15.0 108.646 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.89 150.81 22.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.733 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.62 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.396 1.628 . . . . 15.0 115.396 -173.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -82.36 -1.78 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.644 -0.66 . . . . 15.0 109.506 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.26 55.8 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.058 -0.974 . . . . 15.0 114.07 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.993 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.6 mtmm -147.54 172.3 14.2 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 118.292 1.046 . . . . 15.0 112.886 175.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.75 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 p -99.2 140.23 33.68 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 114.425 -1.261 . . . . 15.0 112.015 -175.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -112.04 147.87 35.07 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.918 -1.141 . . . . 15.0 107.918 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 455' ' ' SER . 43.2 m-85 -108.62 124.94 51.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.194 0.521 . . . . 15.0 111.099 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 32.3 t80 -109.1 118.12 35.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.939 -1.028 . . . . 15.0 110.482 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.5 t-20 -90.15 126.45 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.352 -0.24 . . . . 15.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -81.12 0.31 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 124.06 0.85 . . . . 15.0 112.825 -172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -91.68 -29.86 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.322 0.582 . . . . 15.0 110.445 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.2 p -130.09 -0.19 4.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.567 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.422 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 59.39 29.41 18.97 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.178 -177.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -95.5 128.99 42.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 15.0 111.215 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 1.5 m -105.98 119.91 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.436 HG21 ' CZ3' ' A' ' 435' ' ' TRP . 4.9 t -136.19 150.28 48.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 15.0 110.575 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -89.55 -12.66 39.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.553 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.55 129.53 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 44.5 tttp -59.9 116.03 15.39 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 123.461 0.476 . . . . 15.0 110.908 -174.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.5 Cg_exo -59.59 157.23 32.96 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 123.748 2.965 . . . . 15.0 113.863 -172.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 0.9 OUTLIER -64.08 -44.27 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.535 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.421 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.4 pm0 -83.33 6.58 19.3 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.513 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 27.2 tp -141.41 30.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.855 0.359 . . . . 15.0 110.643 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 6.4 ptmm? . . . . . 0 C--O 1.252 1.236 0 CA-C-O 119.173 -0.441 . . . . 15.0 110.98 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.734 -0.546 . . . . 15.0 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.49 119.35 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.452 -0.203 . . . . 15.0 110.452 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 32.6 p 50.2 30.58 4.43 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.164 0.915 . . . . 15.0 112.337 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.23 82.79 0.13 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.543 -0.753 . . . . 15.0 111.969 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.76 140.75 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.882 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.3 p -68.88 134.33 49.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.577 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.578 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 38.9 tt0 -72.46 -28.48 62.95 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.059 0.457 . . . . 15.0 110.026 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -121.95 150.39 42.1 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.238 1.018 . . . . 15.0 112.049 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.2 m -122.4 141.63 51.38 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.817 -1.538 . . . . 15.0 109.135 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.65 132.62 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.431 0.634 . . . . 15.0 111.475 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.5 m-85 -126.74 133.96 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 15.0 109.853 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.938 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.6 tppp? -90.09 121.23 31.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.297 0.57 . . . . 15.0 109.59 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 p -89.62 150.82 22.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.213 -0.903 . . . . 15.0 110.342 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.29 -14.23 0.16 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.362 1.245 . . . . 15.0 114.362 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.11 -4.04 39.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.686 0.755 . . . . 15.0 110.138 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 30.06 13.46 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.144 -0.934 . . . . 15.0 114.712 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.938 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.6 mttp -150.57 167.72 26.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 118.763 1.281 . . . . 15.0 112.57 170.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.745 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 17.8 p -95.0 140.85 29.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.645 -1.161 . . . . 15.0 112.259 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -114.98 141.02 48.55 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.747 -1.205 . . . . 15.0 107.747 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 455' ' ' SER . 55.5 m-85 -93.8 123.28 37.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.395 0.616 . . . . 15.0 111.172 -173.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.796 ' HH ' ' HG2' ' A' ' 453' ' ' GLU . 15.4 t80 -109.51 119.94 40.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.778 -1.101 . . . . 15.0 110.319 -175.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.759 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 16.3 t-20 -93.44 125.19 37.92 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.401 -0.818 . . . . 15.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -75.85 -12.86 60.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 39.4 mtm180 -68.15 -56.13 9.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.893 0.378 . . . . 15.0 110.472 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 453' ' ' GLU . 44.1 p -119.03 3.58 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 15.0 111.367 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.796 ' HG2' ' HH ' ' A' ' 448' ' ' TYR . 49.2 mt-10 67.54 33.01 5.33 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.5 0.5 . . . . 15.0 110.353 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.759 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.3 pt-20 -89.62 127.04 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.289 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 12.5 p -113.87 125.91 54.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.191 -0.458 . . . . 15.0 111.137 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.0 t -144.07 150.33 38.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.15 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -81.13 -1.57 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.183 0.516 . . . . 15.0 110.112 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -80.53 127.87 32.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.015 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 6.8 tttm -64.19 124.8 86.64 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.283 -0.417 . . . . 15.0 110.74 -176.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.3 Cg_exo -65.59 158.25 54.19 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.352 2.701 . . . . 15.0 113.626 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.685 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 48.7 tt0 -63.21 -39.48 94.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.091 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 434' ' ' GLU . 0.0 OUTLIER -80.09 2.45 23.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.411 -0.813 . . . . 15.0 111.621 -178.218 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.446 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 15.9 tp -134.28 18.78 3.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 15.0 109.929 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 7.2 ptmm? . . . . . 0 C--O 1.252 1.226 0 CA-C-N 116.079 -0.509 . . . . 15.0 112.137 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.708 -0.557 . . . . 15.0 111.708 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -125.68 99.98 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.962 0.411 . . . . 15.0 110.843 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.3 m -87.61 88.88 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -104.01 89.55 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.329 0.585 . . . . 15.0 110.645 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 52.2 t -120.17 104.19 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.9 p -124.69 124.87 43.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.371 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.73 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 -75.34 -24.62 57.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.95 0.405 . . . . 15.0 110.914 -174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 24.8 m95 -119.26 150.48 40.03 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.056 0.931 . . . . 15.0 112.268 -177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.6 m -130.7 141.07 50.39 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.633 -1.621 . . . . 15.0 109.148 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.11 130.99 57.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.655 0.741 . . . . 15.0 111.507 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.9 m-85 -120.87 133.38 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 15.0 109.606 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.898 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 122.25 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 15.0 109.79 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -89.94 150.67 22.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.281 -0.872 . . . . 15.0 109.859 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.75 -11.46 0.22 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.04 1.126 . . . . 15.0 114.04 -172.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.54 -1.37 30.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.296 0.569 . . . . 15.0 109.996 174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.37 26.65 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.474 -0.785 . . . . 15.0 114.895 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.898 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.1 mtmm -149.86 168.43 23.76 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 118.614 1.207 . . . . 15.0 113.846 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -100.33 144.14 29.69 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.278 -1.328 . . . . 15.0 112.736 -173.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 43.2 p90 -119.3 141.9 48.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.597 -1.183 . . . . 15.0 108.299 173.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -98.67 125.93 44.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.477 0.656 . . . . 15.0 111.386 -172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 64.9 t80 -110.32 120.44 42.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.846 -176.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.73 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.2 t-20 -90.06 126.89 35.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.45 -0.574 . . . . 15.0 109.45 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.96 -2.82 41.87 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.78 0.659 . . . . 15.0 112.78 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -91.58 -56.19 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.181 0.515 . . . . 15.0 109.822 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.0 p -88.31 -9.26 53.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.685 -0.688 . . . . 15.0 111.381 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 61.61 33.5 18.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.409 0.623 . . . . 15.0 109.735 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.682 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -93.0 130.51 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.482 -0.781 . . . . 15.0 111.179 -172.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.6 p -101.77 106.96 18.03 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.197 -0.91 . . . . 15.0 109.766 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -131.48 150.06 52.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.961 0.41 . . . . 15.0 110.577 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -88.33 1.33 54.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.42 127.1 32.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 81.2 tttt -77.15 118.37 71.48 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.202 0.525 . . . . 15.0 111.903 -171.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.6 Cg_endo -46.26 143.79 7.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.466 3.444 . . . . 15.0 113.963 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 24.3 tm0? -64.45 -40.68 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.092 -0.958 . . . . 15.0 110.909 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.7 -0.77 21.95 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.192 -0.913 . . . . 15.0 112.483 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.418 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.5 tp -139.28 17.61 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 15.0 110.77 -175.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 2.6 ptmm? . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.567 -0.73 . . . . 15.0 111.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.936 -0.465 . . . . 15.0 111.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -128.37 102.62 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.808 0.337 . . . . 15.0 110.111 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.2 m -77.54 70.05 3.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.381 0.61 . . . . 15.0 110.33 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -115.18 109.73 18.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.845 -0.616 . . . . 15.0 110.575 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.1 p -85.92 106.17 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.564 0.697 . . . . 15.0 110.069 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.6 p -91.15 131.59 36.6 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.438 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 10.6 tp10 -73.0 -17.91 61.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 15.0 110.042 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -101.39 150.24 23.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.971 0.891 . . . . 15.0 111.641 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.2 m -127.65 140.12 52.29 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.877 -1.51 . . . . 15.0 109.242 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.59 130.28 56.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.73 0.776 . . . . 15.0 111.581 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 445' ' ' THR . 96.4 m-85 -123.69 136.36 54.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.724 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.995 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -89.87 116.71 28.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.272 -0.64 . . . . 15.0 109.272 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.66 150.81 22.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.559 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.43 -24.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.361 1.245 . . . . 15.0 114.361 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -66.17 -9.83 35.49 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.382 0.61 . . . . 15.0 110.445 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.44 28.38 17.12 Favored Glycine 0 N--CA 1.437 -1.286 0 CA-C-N 115.459 -0.791 . . . . 15.0 114.106 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.995 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.3 mtmm -153.01 172.3 17.05 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.517 1.158 . . . . 15.0 112.488 168.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.734 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -98.26 143.09 29.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.307 -1.315 . . . . 15.0 112.892 -173.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -123.93 145.72 48.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.531 -1.213 . . . . 15.0 107.991 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.506 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 55.9 m-85 -100.07 128.68 46.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.402 0.62 . . . . 15.0 111.416 -172.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -117.87 123.06 44.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.125 -0.943 . . . . 15.0 111.041 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.646 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.0 t-20 -90.25 126.73 35.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.79 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.424 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 42.4 m-80 -77.3 -14.67 59.7 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.201 0.815 . . . . 15.0 113.201 -171.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.438 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 42.7 mtm-85 -81.64 -63.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.228 0.537 . . . . 15.0 110.728 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.8 p -86.49 -5.23 59.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.453 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 62.61 35.33 14.39 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.646 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.7 pt-20 -97.22 129.68 44.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.878 -173.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.9 p -113.7 119.64 38.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -141.41 150.31 42.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 15.0 110.463 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.35 -6.75 58.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.986 0.422 . . . . 15.0 110.721 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -76.78 138.04 39.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.84 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.674 ' HB2' ' HZ3' ' A' ' 459' ' ' LYS . 3.6 ttmp? -69.78 129.78 90.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.563 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 25.2 Cg_exo -61.85 147.86 94.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.008 2.472 . . . . 15.0 112.533 -176.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 7.4 tt0 -62.73 -23.84 67.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.572 -0.74 . . . . 15.0 111.212 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -100.01 4.18 44.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.728 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.7 tp -123.06 2.02 9.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.235 0.54 . . . . 15.0 110.238 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.485 -0.78 . . . . 15.0 111.048 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.772 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 24.0 tt0 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 112.115 0.413 . . . . 15.0 112.115 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -113.11 150.41 32.18 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.684 0.754 . . . . 15.0 111.377 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.0 m -133.18 133.18 42.47 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.032 -1.44 . . . . 15.0 109.644 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.607 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -115.85 139.62 50.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.768 0.794 . . . . 15.0 112.033 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.5 m-85 -126.98 138.79 53.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.856 -1.066 . . . . 15.0 108.888 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.3 tppp? -90.03 115.65 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 15.0 109.258 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.87 150.71 22.1 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.041 -0.981 . . . . 15.0 110.493 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.45 -8.16 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.72 1.007 . . . . 15.0 113.72 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.48 -5.06 37.64 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.679 0.752 . . . . 15.0 109.466 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 17.2 53.82 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 114.683 -1.144 . . . . 15.0 114.072 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.99 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.0 mtmm -152.08 173.84 14.43 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.858 1.329 . . . . 15.0 113.469 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.703 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 5.9 p -98.21 140.91 31.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 114.202 -1.363 . . . . 15.0 112.532 -175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 32.0 p90 -117.9 141.6 48.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 15.0 108.951 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.607 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.6 m-85 -98.34 126.8 43.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 15.0 111.534 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 83.5 t80 -114.34 123.11 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 15.0 110.643 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.4 t-20 -92.08 126.93 37.36 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -81.25 -7.61 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.902 0.751 . . . . 15.0 112.929 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.447 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.0 mtm105 -91.62 -50.68 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 15.0 110.677 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.9 p -88.93 -12.63 41.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.841 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 66.4 34.38 6.31 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.511 0.507 . . . . 15.0 110.188 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.0 pt-20 -105.52 139.71 39.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.971 0.415 . . . . 15.0 111.146 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 5.8 p -119.29 113.94 21.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.567 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.2 t -134.0 150.21 51.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.488 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.414 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 90.1 m95 -84.74 -3.3 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.894 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -83.68 134.47 34.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.213 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 83.5 tttt -64.25 125.29 87.94 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.832 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.5 Cg_exo -61.96 156.16 50.94 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 C-N-CA 123.532 2.821 . . . . 15.0 113.354 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -75.14 -35.54 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.934 0.874 . . . . 15.0 109.979 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.8 pm0 -87.21 8.87 22.07 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.778 -1.101 . . . . 15.0 111.444 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.44 0.638 . . . . 15.0 110.112 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--O 1.236 0.382 0 CA-C-O 120.622 0.249 . . . . 15.0 111.435 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 53.2 m95 -125.99 150.39 48.09 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.932 0.872 . . . . 15.0 111.599 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.9 m -135.98 136.02 40.01 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 113.696 -1.593 . . . . 15.0 109.215 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -113.35 137.96 50.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.569 0.7 . . . . 15.0 111.689 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -129.62 138.22 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.983 -1.008 . . . . 15.0 109.384 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.026 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.8 tppt? -91.05 120.93 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.69 150.63 22.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.46 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.11 -20.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.347 1.24 . . . . 15.0 114.347 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.41 -3.76 29.37 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.644 0.735 . . . . 15.0 110.056 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 27.56 20.37 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.08 -0.963 . . . . 15.0 114.684 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.026 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.2 mtmm -151.46 169.65 21.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.821 1.311 . . . . 15.0 113.263 170.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.732 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -99.8 145.57 27.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 114.417 -1.265 . . . . 15.0 112.497 -173.091 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -125.06 146.27 49.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.069 -0.969 . . . . 15.0 108.785 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 48.9 m-85 -97.18 125.7 41.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.561 0.696 . . . . 15.0 111.415 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -113.56 121.71 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.117 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.6 t-20 -90.95 126.84 36.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.283 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.45 -4.94 58.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.488 0.551 . . . . 15.0 112.488 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -79.52 -57.45 3.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.609 0.718 . . . . 15.0 109.376 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -99.15 -8.51 25.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.224 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 64.08 38.85 8.18 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.554 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -97.57 136.07 38.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.776 -177.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.7 p -109.73 121.37 45.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.472 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.6 t -139.56 150.18 44.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.892 0.377 . . . . 15.0 110.793 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -87.43 -1.69 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.106 0.479 . . . . 15.0 110.26 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.26 147.31 31.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 15.0 109.821 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.496 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 13.0 ttmm -89.1 115.55 63.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.941 0.401 . . . . 15.0 111.049 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.2 Cg_endo -54.04 149.41 35.25 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 124.065 3.177 . . . . 15.0 113.316 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -62.99 -33.84 76.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.316 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.76 -40.64 95.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.93 -1.032 . . . . 15.0 111.879 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.488 0.661 . . . . 15.0 110.567 -171.299 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.71 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 16.8 tt0 . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 121.443 0.64 . . . . 15.0 109.577 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 460' ' ' PRO . 28.6 m95 -106.68 150.11 26.58 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-O 121.946 0.879 . . . . 15.0 110.731 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 95.1 m -122.98 137.01 55.07 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.162 -1.381 . . . . 15.0 109.191 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.77 132.79 56.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.654 0.74 . . . . 15.0 111.528 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.7 m-85 -125.43 133.19 52.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.117 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.956 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 2.7 tppp? -90.1 114.61 26.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.57 150.9 22.21 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.65 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.78 -17.64 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.095 1.146 . . . . 15.0 114.095 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -0.34 14.39 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.327 0.584 . . . . 15.0 110.445 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 24.06 29.92 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.09 -0.959 . . . . 15.0 114.994 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.956 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 11.2 mttp -154.19 173.42 16.13 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.998 1.399 . . . . 15.0 112.522 173.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -96.99 145.16 26.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.455 -1.248 . . . . 15.0 111.717 -177.499 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -119.76 139.14 52.76 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.167 -1.049 . . . . 15.0 108.167 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.632 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 26.0 m-85 -96.32 129.56 43.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 15.0 111.266 -172.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 59.3 t80 -120.93 124.39 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.784 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.71 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.4 t-20 -89.74 125.66 35.37 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -77.13 -15.41 59.56 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -98.4 -24.57 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.276 -0.57 . . . . 15.0 111.989 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 28.5 p -107.8 -10.17 15.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.614 0.245 . . . . 15.0 111.051 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 65.96 27.87 10.69 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.942 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.609 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.1 pt-20 -98.02 127.22 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.146 -0.621 . . . . 15.0 111.23 -173.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.4 p -111.69 115.88 29.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.4 t -146.14 150.37 35.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.459 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 85.2 m95 -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.943 0.402 . . . . 15.0 110.775 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.52 137.57 38.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.748 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.486 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 51.4 tttp -66.76 128.69 93.97 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.119 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.632 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 18.9 Cg_exo -66.22 153.57 77.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.229 2.619 . . . . 15.0 113.304 -175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -68.94 -34.23 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.84 . . . . 15.0 111.188 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -91.47 -0.91 57.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.591 -0.731 . . . . 15.0 111.427 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.013 -0.539 . . . . 15.0 109.794 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.57 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 11.5 tp10 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 121.247 0.546 . . . . 15.0 111.173 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 34.0 m95 -111.67 150.13 30.59 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 121.846 0.831 . . . . 15.0 110.617 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.6 m -123.36 127.62 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.895 -1.502 . . . . 15.0 109.203 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -104.38 124.21 48.8 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.707 0.765 . . . . 15.0 111.025 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.7 m-85 -112.43 130.87 55.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.368 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.959 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 9.4 tppt? -90.05 119.84 30.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.947 -0.76 . . . . 15.0 108.947 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.58 150.91 22.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.537 -174.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.08 -21.89 0.05 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.078 1.14 . . . . 15.0 114.078 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.88 -8.66 55.7 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.437 0.637 . . . . 15.0 110.185 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.28 12.42 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 115.467 0.947 . . . . 15.0 115.467 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.959 ' HA ' ' HD2' ' A' ' 439' ' ' LYS 0.257 14.6 mttp -147.9 174.72 11.59 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 119.202 1.501 . . . . 15.0 112.503 165.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -102.73 148.21 25.88 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.787 -1.551 . . . . 15.0 112.46 -173.566 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.96 144.85 50.4 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 48.7 m-85 -97.83 127.22 43.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.089 0.471 . . . . 15.0 112.066 -170.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.5 t80 -110.41 122.64 48.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.59 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.57 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.4 t-20 -93.25 137.04 32.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.407 -0.36 . . . . 15.0 110.4 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.73 10.14 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 15.0 112.464 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.537 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 30.2 mtm-85 -102.49 -31.63 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 15.0 110.519 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -117.84 -6.03 11.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.846 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.38 47.92 15.69 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.326 0.391 . . . . 15.0 110.52 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -116.84 145.93 43.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.062 0.458 . . . . 15.0 111.266 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 34.2 p -117.91 123.3 45.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.613 -0.722 . . . . 15.0 110.149 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.9 t -131.62 150.08 52.27 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -93.67 -6.45 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.371 . . . . 15.0 110.93 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -89.39 133.79 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 15.0 109.941 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.5 tttm -67.49 119.78 68.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 15.0 109.809 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.421 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 17.2 Cg_exo -68.11 146.78 71.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 123.04 2.493 . . . . 15.0 112.743 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 122.075 0.94 . . . . 15.0 109.44 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.8 -17.0 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.719 -1.582 . . . . 15.0 111.613 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.5 tp . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.383 0.611 . . . . 15.0 110.338 -177.141 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.755 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.6 tt0 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.237 0.541 . . . . 15.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 42.0 m95 -113.62 150.14 33.56 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.734 0.778 . . . . 15.0 110.523 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 64.8 m -126.84 134.71 50.47 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.058 -1.428 . . . . 15.0 109.756 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -112.95 130.34 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.428 0.633 . . . . 15.0 111.12 179.364 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.0 m-85 -118.84 131.56 56.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -90.25 114.78 26.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.61 150.65 22.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.854 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.25 -18.64 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.443 1.275 . . . . 15.0 114.443 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.14 -2.16 23.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.409 0.623 . . . . 15.0 110.371 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 26.89 22.14 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.203 -0.908 . . . . 15.0 114.802 172.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.0 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -153.65 169.24 23.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.705 1.253 . . . . 15.0 113.103 171.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -98.21 148.4 23.63 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 114.501 -1.227 . . . . 15.0 112.367 -177.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.8 p90 -126.01 148.79 49.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.985 -1.007 . . . . 15.0 108.432 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 69.8 m-85 -105.09 126.33 51.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 15.0 111.815 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 69.2 t80 -114.15 124.43 52.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.737 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.755 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.24 134.6 34.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -90.48 -1.19 57.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.996 0.739 . . . . 15.0 112.996 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.485 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.5 mtm180 -100.49 -45.34 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.871 -0.518 . . . . 15.0 111.413 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.4 p -91.23 -17.41 26.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.826 0.346 . . . . 15.0 110.454 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.15 64.69 0.95 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.323 -0.853 . . . . 15.0 110.423 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 15.5 pt-20 -135.31 141.91 45.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.432 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.1 p -119.04 113.2 20.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.165 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.2 t -133.17 150.55 52.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.245 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 82.5 m95 -87.53 -3.3 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.367 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -81.67 136.68 35.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.963 -0.755 . . . . 15.0 108.963 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 39.5 tttm -72.22 115.29 37.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.866 0.365 . . . . 15.0 111.009 -172.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 435' ' ' TRP . 5.0 Cg_exo -42.95 134.05 5.63 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 124.41 3.407 . . . . 15.0 113.709 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.4 -44.76 76.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.969 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -68.61 -4.52 15.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.843 -1.072 . . . . 15.0 111.952 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 15.0 110.019 -171.161 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.785 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 11.7 tt0 . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.361 0.601 . . . . 15.0 110.367 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.4 ' CZ3' HG22 ' A' ' 456' ' ' THR . 33.8 m95 -109.95 150.06 29.02 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.934 0.873 . . . . 15.0 110.732 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.9 m -122.94 134.06 54.36 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 113.932 -1.486 . . . . 15.0 109.379 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 132.59 54.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.638 0.733 . . . . 15.0 111.512 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 445' ' ' THR . 83.3 m-85 -128.59 135.06 48.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.362 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.077 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.7 tppp? -89.81 114.53 26.27 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.972 -0.751 . . . . 15.0 108.972 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.79 150.95 22.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.805 -1.088 . . . . 15.0 110.808 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.46 -16.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.23 1.196 . . . . 15.0 114.23 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -73.53 -1.67 19.54 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.83 -0.544 . . . . 15.0 110.369 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 22.08 35.6 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.468 -0.787 . . . . 15.0 114.7 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.077 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -153.94 172.96 16.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.745 1.272 . . . . 15.0 112.854 172.192 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.747 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -95.86 143.09 27.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 114.414 -1.266 . . . . 15.0 112.283 -176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 31.9 p90 -115.95 148.56 39.95 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.927 -1.138 . . . . 15.0 107.927 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 41.1 m-85 -106.71 118.75 37.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 15.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.4 t80 -107.88 126.31 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.576 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.785 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.3 t-20 -89.81 133.45 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -81.66 -24.32 36.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -171.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.3 mtm180 -84.85 -55.82 3.89 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 15.0 111.469 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.1 p -76.4 -24.51 54.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.163 0.506 . . . . 15.0 110.151 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 34.2 mt-10 61.92 75.32 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.724 -1.125 . . . . 15.0 110.61 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.9 pt-20 -145.42 145.96 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.754 -1.112 . . . . 15.0 110.426 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.6 m -111.04 113.06 25.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.792 0.329 . . . . 15.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.4 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.8 t -120.72 150.14 41.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.952 0.406 . . . . 15.0 110.527 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.71 6.93 47.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 15.0 110.42 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -95.13 135.51 36.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.747 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 29.5 tttm -60.52 120.81 55.64 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.61 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.9 Cg_exo -63.2 154.94 64.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.305 2.67 . . . . 15.0 113.204 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -64.82 -33.94 77.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.769 . . . . 15.0 111.395 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -93.5 3.57 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.317 -179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 24.6 tp . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.722 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.756 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.864 0.364 . . . . 15.0 111.513 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.477 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 30.4 m95 -110.58 150.07 29.47 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.45 0.643 . . . . 15.0 110.267 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -120.39 131.21 54.71 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.334 -1.303 . . . . 15.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -115.03 131.8 56.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.751 0.786 . . . . 15.0 111.625 -176.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.7 m-85 -128.9 135.56 49.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 15.0 109.08 175.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.965 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.1 tppp? -89.8 115.79 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.038 -0.727 . . . . 15.0 109.038 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.92 150.76 22.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.858 -1.065 . . . . 15.0 110.388 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.78 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.475 1.287 . . . . 15.0 114.475 -174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.96 -0.55 21.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.502 0.668 . . . . 15.0 110.137 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 27.83 19.57 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.28 -0.873 . . . . 15.0 114.585 171.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.965 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 21.9 mttp -153.69 167.46 29.51 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.542 1.171 . . . . 15.0 113.245 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 29.7 p -96.29 140.87 30.34 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.704 -1.135 . . . . 15.0 112.034 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -112.52 144.33 42.16 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.264 -1.013 . . . . 15.0 108.264 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -106.04 119.27 38.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 15.0 111.294 -173.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 71.9 t80 -106.82 121.52 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.2 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.756 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.3 t-20 -90.08 124.85 35.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.754 -0.461 . . . . 15.0 109.754 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -83.68 8.41 14.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.674 -0.694 . . . . 15.0 112.627 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 41.7 mtm105 -111.17 -18.26 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.996 -0.44 . . . . 15.0 111.423 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -123.96 -3.98 8.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.481 -0.327 . . . . 15.0 111.236 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 60.99 33.07 19.89 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.2 pt-20 -104.23 129.17 52.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.486 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.3 m -103.01 111.05 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.024 -0.535 . . . . 15.0 109.705 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -119.13 150.05 40.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.919 0.39 . . . . 15.0 110.781 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.9 m95 -94.64 5.19 52.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.477 174.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.4 131.45 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 15.0 109.376 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 82.5 tttt -68.83 124.3 89.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.0 Cg_exo -64.6 145.96 88.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.794 2.329 . . . . 15.0 112.168 -176.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -70.83 -27.11 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.152 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.42 -2.72 36.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.939 -1.028 . . . . 15.0 111.416 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.899 0.38 . . . . 15.0 110.749 -176.58 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.508 ' HG2' ' NH1' ' A' ' 451' ' ' ARG . 7.2 tp10 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.001 0.429 . . . . 15.0 110.743 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.08 150.29 29.59 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.619 0.723 . . . . 15.0 111.045 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.3 m -123.98 135.62 53.77 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.288 -1.324 . . . . 15.0 109.272 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -108.82 134.82 51.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.421 0.629 . . . . 15.0 111.149 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 68.5 m-85 -122.6 134.88 54.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.16 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.97 116.89 28.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.263 0.554 . . . . 15.0 109.738 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.9 p -89.73 150.83 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.814 -1.084 . . . . 15.0 110.599 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.84 -21.83 0.07 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.364 1.246 . . . . 15.0 114.364 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.74 -2.19 13.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.523 0.678 . . . . 15.0 110.494 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.41 22.83 33.3 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.267 -0.879 . . . . 15.0 114.497 171.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.987 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.4 mtmm -151.11 172.38 15.87 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.73 1.265 . . . . 15.0 112.481 171.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 p -94.72 141.13 28.98 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.862 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 11.5 p90 -116.81 148.33 41.31 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 173.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 455' ' ' SER . 76.9 m-85 -104.11 127.07 51.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.31 0.576 . . . . 15.0 112.159 -169.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.459 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 87.3 t80 -113.92 125.37 53.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.67 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.79 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.1 t-20 -102.72 131.09 49.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.984 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -84.21 -0.82 53.69 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.012 0.745 . . . . 15.0 113.012 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 21.6 mtm180 -86.13 -33.64 20.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.013 0.435 . . . . 15.0 110.678 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.4 p -132.53 -1.52 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.256 -171.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.459 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 2.1 mp0 64.19 31.3 13.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.555 -174.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.9 pt-20 -89.94 133.03 35.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.056 0.455 . . . . 15.0 110.771 -173.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 26.1 p -118.43 117.72 29.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.989 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.7 t -132.83 150.3 52.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.482 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.473 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 89.1 m95 -86.92 -1.04 57.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.431 -0.35 . . . . 15.0 111.617 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.75 145.2 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.686 -0.487 . . . . 15.0 109.686 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 33.2 tttm -67.77 123.97 88.24 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.181 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.546 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 55.7 Cg_exo -55.78 152.33 35.73 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.784 2.989 . . . . 15.0 113.681 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.89 -38.71 91.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.627 . . . . 15.0 110.774 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -97.05 7.21 47.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.502 -0.772 . . . . 15.0 112.094 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 26.3 tp . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.29 0.567 . . . . 15.0 110.408 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.889 ' HG2' ' HG3' ' A' ' 451' ' ' ARG . 8.5 tp10 . . . . . 0 CA--C 1.517 -0.318 0 CA-C-O 121.512 0.672 . . . . 15.0 110.214 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 30.8 m95 -94.77 150.13 20.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.979 0.895 . . . . 15.0 111.344 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.7 m -124.77 143.55 50.73 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.969 -1.469 . . . . 15.0 109.485 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -114.08 131.53 56.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.569 0.7 . . . . 15.0 111.354 -178.605 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.5 m-85 -125.15 132.82 53.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 15.0 109.331 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.063 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.4 tppp? -89.91 113.56 25.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.56 150.87 22.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.307 -0.861 . . . . 15.0 110.575 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.84 0.1 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.106 1.151 . . . . 15.0 114.106 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.27 -1.7 4.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.218 0.532 . . . . 15.0 110.749 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 17.02 54.33 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.392 -0.822 . . . . 15.0 114.844 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.063 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -149.65 172.15 15.51 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.971 1.385 . . . . 15.0 113.044 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.777 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -97.74 143.82 27.99 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.386 -1.279 . . . . 15.0 112.474 -174.024 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -125.16 147.32 49.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.682 -1.145 . . . . 15.0 107.972 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 64.7 m-85 -103.03 124.48 48.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 15.0 111.549 -172.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -109.58 122.73 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.003 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.8 t-20 -91.14 126.69 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.479 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.443 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 54.2 m-80 -79.68 -16.18 56.18 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.82 0.674 . . . . 15.0 112.82 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.889 ' HG3' ' HG2' ' A' ' 434' ' ' GLU . 50.0 mtm-85 -73.01 -55.96 5.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.2 0.524 . . . . 15.0 110.538 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.6 p -102.32 -2.98 27.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.434 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 62.6 38.04 12.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.115 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.69 130.04 53.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.764 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -111.93 121.99 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.4 -0.364 . . . . 15.0 111.107 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.9 t -139.45 150.41 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.13 -6.78 52.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.056 0.455 . . . . 15.0 110.936 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.39 122.59 32.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.377 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.49 128.42 92.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 111.279 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.444 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 52.7 Cg_endo -68.23 159.72 51.99 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.492 2.794 . . . . 15.0 113.653 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -62.04 -33.29 74.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.823 -1.081 . . . . 15.0 111.246 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.88 1.07 18.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.291 -0.868 . . . . 15.0 111.851 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.883 0.373 . . . . 15.0 110.381 -179.033 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.906 0.384 . . . . 15.0 111.653 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -101.43 150.35 23.13 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.822 0.82 . . . . 15.0 110.866 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.5 m -124.46 142.36 51.37 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.017 -1.447 . . . . 15.0 109.103 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.38 131.51 54.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.642 0.734 . . . . 15.0 111.566 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.9 m-85 -130.78 134.94 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.513 -0.767 . . . . 15.0 109.437 175.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.951 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.2 tppp? -91.24 117.89 30.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.8 150.88 22.06 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.463 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.16 -18.3 0.05 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.6 1.333 . . . . 15.0 114.6 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.43 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 7.3 p-10 -75.27 -1.23 22.57 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.347 0.594 . . . . 15.0 110.173 175.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 28.39 18.0 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.313 -0.858 . . . . 15.0 115.018 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.951 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmt -152.4 166.3 32.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.182 0.991 . . . . 15.0 113.441 171.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.693 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 16.1 p -97.03 139.63 32.75 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.449 -1.251 . . . . 15.0 111.806 -176.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -114.13 141.03 48.01 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.28 -1.007 . . . . 15.0 108.28 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 39.0 m-85 -98.2 119.27 36.57 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.241 0.543 . . . . 15.0 111.028 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 57.9 t80 -106.62 122.52 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.091 -0.958 . . . . 15.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.666 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.4 t-20 -97.01 130.67 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.394 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.47 -2.12 55.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 15.0 112.617 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.48 -26.63 20.83 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.51 . . . . 15.0 110.351 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 13.1 p -132.15 -1.51 3.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.871 -170.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 58.26 27.72 15.59 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.835 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.8 pt-20 -93.64 146.64 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.626 -0.429 . . . . 15.0 110.978 -171.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 m -123.43 114.64 20.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.78 0.324 . . . . 15.0 110.715 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -124.93 150.18 46.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.175 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.601 ' CZ3' ' HE3' ' A' ' 444' ' ' LYS . 91.8 m95 -94.7 4.65 53.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.191 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -98.11 149.1 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 26.8 tttm -71.04 116.2 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.593 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 36.5 Cg_exo -62.12 153.91 66.18 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.5 2.8 . . . . 15.0 113.286 -175.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -35.26 78.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.823 -178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.31 1.36 57.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.449 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 25.9 tp . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 121.308 0.575 . . . . 15.0 109.726 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.657 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 21.9 tt0 . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.887 0.375 . . . . 15.0 110.961 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -112.56 150.16 31.72 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.927 0.87 . . . . 15.0 111.227 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 55.5 m -130.69 132.72 45.56 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 113.453 -1.703 . . . . 15.0 109.187 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.0 OUTLIER -117.85 130.59 56.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.833 0.825 . . . . 15.0 111.124 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.7 m-85 -123.36 143.87 49.83 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.966 -1.015 . . . . 15.0 109.208 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.055 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.7 120.19 30.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 178.755 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.76 150.75 22.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.91 -1.041 . . . . 15.0 110.348 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.35 -18.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.791 1.034 . . . . 15.0 113.791 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.05 -7.04 37.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.692 0.758 . . . . 15.0 110.011 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.25 40.88 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 114.904 -1.044 . . . . 15.0 114.747 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.055 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.2 mtmm -148.31 174.55 11.91 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.015 1.407 . . . . 15.0 112.464 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.624 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 2.1 p -96.44 143.75 27.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 114.541 -1.209 . . . . 15.0 112.948 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 46.2 p90 -117.48 149.95 39.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.618 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 77.1 m-85 -101.15 126.08 47.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 15.0 111.495 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 48.2 t80 -115.03 121.77 44.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.848 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.657 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.47 129.72 36.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.203 -0.666 . . . . 15.0 109.203 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -79.99 -13.93 58.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.51 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 35.0 mtm105 -82.08 -55.06 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.913 -0.492 . . . . 15.0 110.67 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -86.49 -11.18 52.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.457 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.49 31.29 14.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.396 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.3 pt-20 -97.54 139.94 32.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.928 -173.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.2 m -115.56 120.78 40.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.031 -0.531 . . . . 15.0 109.719 176.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -139.34 150.2 45.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.622 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -87.53 -1.93 58.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.341 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.64 128.9 33.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.246 -0.65 . . . . 15.0 109.246 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.7 tttm -75.17 118.58 71.66 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.06 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.518 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.1 Cg_endo -44.4 150.38 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.585 3.524 . . . . 15.0 113.323 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -82.07 -31.67 30.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.754 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.7 pm0 -74.68 -14.8 60.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.68 -1.146 . . . . 15.0 110.72 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.741 0.781 . . . . 15.0 109.711 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.604 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 39.9 tt0 . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.744 0.307 . . . . 15.0 110.81 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -120.01 150.41 40.59 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.999 0.904 . . . . 15.0 112.046 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.9 m -121.83 133.12 54.89 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 113.704 -1.589 . . . . 15.0 108.973 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.28 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.378 0.608 . . . . 15.0 111.564 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 445' ' ' THR . 69.0 m-85 -132.75 136.56 46.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.265 176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.052 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.1 tppt? -89.94 116.36 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.74 150.75 22.16 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.713 -1.131 . . . . 15.0 110.091 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.69 -12.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.852 1.056 . . . . 15.0 113.852 -176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -70.04 -6.74 35.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.319 0.58 . . . . 15.0 109.972 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.33 16.01 56.22 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.098 -0.956 . . . . 15.0 114.145 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.052 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.7 mttp -146.76 177.1 9.36 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.53 1.165 . . . . 15.0 112.437 172.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.668 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -102.0 144.97 29.95 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.569 -1.651 . . . . 15.0 112.915 -173.132 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -125.85 149.19 48.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.589 -1.263 . . . . 15.0 107.589 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.439 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 67.9 m-85 -107.81 127.35 53.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.449 0.643 . . . . 15.0 111.822 -170.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.514 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 57.4 t80 -105.04 117.83 34.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.705 -1.134 . . . . 15.0 110.396 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.656 ' HB3' ' CG ' ' A' ' 454' ' ' GLU . 15.4 t-20 -91.16 124.96 35.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.749 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -81.25 5.64 16.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.483 -0.78 . . . . 15.0 113.066 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.604 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 19.5 mtm180 -83.53 -60.43 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 15.0 109.751 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 54.4 p -113.07 5.46 17.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.895 -1.048 . . . . 15.0 110.735 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.514 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 63.67 36.89 10.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.333 -174.655 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.656 ' CG ' ' HB3' ' A' ' 449' ' ' ASN . 11.8 pt-20 -90.09 121.05 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.619 . . . . 15.0 109.988 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -109.12 119.87 40.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.643 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -141.97 150.23 41.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 15.0 110.756 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 93.3 m95 -77.87 -5.04 49.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.339 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -71.22 124.57 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 15.0 110.02 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 79.0 tttt -60.47 130.25 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.393 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.439 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 10.4 Cg_exo -69.03 153.24 72.61 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.967 2.445 . . . . 15.0 113.206 -172.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.85 -32.58 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.128 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -94.56 5.95 50.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.904 -177.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.408 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 20.2 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 15.0 110.468 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 450' ' ' ASN . 11.4 tp10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.551 0.691 . . . . 15.0 110.224 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 56.8 m95 -105.52 150.39 25.38 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.29 -0.868 . . . . 15.0 110.924 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.7 m -130.11 137.95 50.44 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.408 -1.269 . . . . 15.0 109.54 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -114.82 129.74 56.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.546 0.688 . . . . 15.0 111.656 -175.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 73.0 m-85 -125.19 135.06 52.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.562 -0.744 . . . . 15.0 109.67 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.024 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.75 111.32 22.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.2 p -89.87 150.78 22.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.137 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.72 -14.69 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.255 1.206 . . . . 15.0 114.255 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.85 4.69 11.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.51 0.672 . . . . 15.0 110.387 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 11.45 62.81 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 115.837 1.095 . . . . 15.0 115.837 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.024 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -150.56 177.65 9.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.87 1.835 . . . . 15.0 113.555 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.2 p -97.6 141.56 30.49 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 113.3 -1.773 . . . . 15.0 112.428 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 26.3 p90 -121.93 145.52 48.02 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.483 -0.932 . . . . 15.0 108.483 175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -95.73 121.86 37.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.964 0.411 . . . . 15.0 110.609 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -107.01 123.05 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.367 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.48 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.3 t-20 -98.56 130.28 45.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.011 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.478 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 55.5 m-80 -80.56 -15.58 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.814 0.672 . . . . 15.0 112.814 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 -57.19 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.413 0.625 . . . . 15.0 110.089 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -95.83 -6.54 39.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.429 -0.805 . . . . 15.0 111.465 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.55 35.35 22.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.42 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -99.05 150.05 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.691 -173.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 8.7 m -122.84 116.83 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.152 178.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.0 t -130.85 150.26 52.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 15.0 110.697 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 82.8 m95 -91.92 6.17 47.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.464 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.85 145.36 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.073 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 69.3 tttt -68.86 126.26 92.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.823 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 31.8 Cg_exo -60.39 147.44 94.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.275 2.65 . . . . 15.0 112.411 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -73.17 -23.96 60.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 15.0 110.14 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.434 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.5 pm0 -81.33 -2.28 48.53 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.828 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.55 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.7 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.883 0.373 . . . . 15.0 110.437 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.585 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 16.3 tp10 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 121.678 0.751 . . . . 15.0 109.607 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.498 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 49.6 m95 -106.92 143.72 34.6 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.399 -0.818 . . . . 15.0 110.382 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -109.08 138.78 44.9 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.087 -1.415 . . . . 15.0 109.001 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.54 125.57 53.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.682 0.753 . . . . 15.0 110.552 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.6 m-85 -113.89 128.91 56.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.182 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.997 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -90.03 115.09 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 15.0 109.215 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.76 150.94 22.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.652 -1.158 . . . . 15.0 110.78 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -36.36 -32.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.454 1.279 . . . . 15.0 114.454 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.33 -5.65 11.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.89 0.376 . . . . 15.0 111.372 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 27.45 20.59 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 119.477 -0.624 . . . . 15.0 114.594 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.997 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -152.12 173.04 15.42 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.352 1.076 . . . . 15.0 112.066 168.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.658 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 15.0 p -98.08 142.76 29.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.461 -1.245 . . . . 15.0 113.03 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -117.23 147.02 42.89 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.013 -1.106 . . . . 15.0 108.013 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 32.0 m-85 -101.46 133.52 45.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.403 0.621 . . . . 15.0 111.768 -169.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -121.18 121.95 38.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.265 -0.88 . . . . 15.0 110.992 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.585 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.07 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.932 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.06 -29.41 39.18 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.576 0.547 . . . . 15.0 112.394 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.52 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 26.3 mtm180 -61.9 -61.93 2.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.122 0.487 . . . . 15.0 111.125 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 8.5 p -93.45 -4.72 50.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.95 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 62.92 32.07 15.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.998 0.427 . . . . 15.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.2 pt-20 -97.14 133.63 41.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.09 0.472 . . . . 15.0 110.821 -174.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.6 p -114.24 120.59 40.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.907 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.1 t -141.41 150.14 41.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.95 0.405 . . . . 15.0 110.48 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -83.45 -1.83 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.891 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.08 145.8 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.088 -0.506 . . . . 15.0 110.677 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.9 tttm -64.98 126.1 90.51 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.635 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_exo -60.96 150.61 83.07 Favored 'Trans proline' 0 N--CA 1.476 0.471 0 C-N-CA 123.541 2.827 . . . . 15.0 113.288 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -72.05 -40.55 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.754 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.498 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.6 pm0 -79.98 2.28 24.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.154 178.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 22.4 tp . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.07 0.462 . . . . 15.0 110.097 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.719 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.8 tt0 . . . . . 0 N--CA 1.447 -0.625 0 CA-C-O 121.167 0.508 . . . . 15.0 110.645 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 31.7 m95 -119.79 150.24 40.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 122.114 0.959 . . . . 15.0 111.757 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.8 m -131.28 148.39 52.68 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.625 -1.625 . . . . 15.0 109.067 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.31 140.88 52.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.387 0.613 . . . . 15.0 111.083 -178.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 81.8 m-85 -136.81 138.78 41.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.011 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.002 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.95 116.41 27.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.723 0.773 . . . . 15.0 109.578 -178.261 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.78 150.83 22.1 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.312 -1.313 . . . . 15.0 110.309 -177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.23 -1.47 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.0 -5.55 49.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.59 0.71 . . . . 15.0 109.184 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 19.7 44.7 Favored Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 114.855 -1.066 . . . . 15.0 113.841 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.002 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.9 mtmm -153.15 175.83 12.6 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 118.392 1.096 . . . . 15.0 112.927 171.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.621 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 13.2 p -99.46 140.87 33.0 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 114.478 -1.237 . . . . 15.0 112.178 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -110.98 146.57 36.42 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.268 -0.878 . . . . 15.0 108.648 175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -100.67 124.07 45.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.256 0.55 . . . . 15.0 110.967 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 78.3 t80 -113.71 125.41 54.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.985 -1.007 . . . . 15.0 110.871 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.719 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.2 t-20 -92.8 129.37 38.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.554 -0.536 . . . . 15.0 109.554 177.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.41 -24.2 50.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 -172.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.464 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.8 mtm105 -76.72 -46.05 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.564 -0.454 . . . . 15.0 111.383 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.5 p -94.92 -14.04 24.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.836 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.22 36.24 12.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.945 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.3 pt-20 -102.54 150.05 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.75 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 m -124.33 123.71 40.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.992 0.425 . . . . 15.0 110.65 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.9 t -136.15 150.12 48.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.305 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.428 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.0 m95 -90.52 4.43 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 15.0 111.115 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.56 139.17 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.049 -0.722 . . . . 15.0 109.049 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 23.4 ttmm -75.74 116.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.402 -0.363 . . . . 15.0 111.203 -175.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 2.7 Cg_endo -50.48 145.53 21.76 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.653 2.902 . . . . 15.0 112.735 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.06 -29.86 70.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.2 -0.909 . . . . 15.0 111.439 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -82.26 -3.48 55.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.769 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 15.0 111.417 -175.831 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 451' ' ' ARG . 9.6 tp10 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.44 0.638 . . . . 15.0 110.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.506 ' NE1' ' HB3' ' A' ' 460' ' ' PRO . 43.6 m95 -102.47 150.01 23.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.734 0.778 . . . . 15.0 111.589 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -124.76 135.88 53.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.064 -1.425 . . . . 15.0 109.51 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -116.35 134.26 55.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.571 0.701 . . . . 15.0 111.599 -177.221 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 445' ' ' THR . 79.6 m-85 -127.18 138.71 53.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.3 -0.864 . . . . 15.0 108.782 174.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.988 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.0 tppt? -89.88 116.7 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.454 0.645 . . . . 15.0 109.779 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 p -89.76 151.0 22.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.766 -1.106 . . . . 15.0 110.502 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.87 0.27 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.936 1.087 . . . . 15.0 113.936 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -78.46 -6.29 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.863 -0.791 . . . . 15.0 108.863 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 15.48 57.06 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.808 -1.087 . . . . 15.0 113.65 177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.988 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -148.07 175.5 10.97 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 122.338 1.066 . . . . 15.0 113.164 173.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -99.35 143.26 29.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.61 -1.632 . . . . 15.0 111.88 -174.559 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.04 142.41 47.86 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 68.7 m-85 -101.1 122.92 44.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.299 0.571 . . . . 15.0 111.579 -171.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 82.2 t80 -106.39 121.97 45.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.227 -0.897 . . . . 15.0 110.242 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.15 125.25 35.38 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -78.88 -3.22 43.59 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.246 0.966 . . . . 15.0 112.687 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.503 ' CZ ' ' HG2' ' A' ' 434' ' ' GLU . 22.6 mtm180 -95.98 -56.29 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 15.0 110.531 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 p -89.66 -0.48 57.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.667 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.2 32.64 20.92 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.996 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.2 pt-20 -108.27 141.87 39.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.517 -0.473 . . . . 15.0 111.277 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -117.51 112.18 20.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.164 0.506 . . . . 15.0 110.385 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.1 t -131.56 150.15 52.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.244 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.7 m95 -84.44 -6.63 59.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.4 -0.364 . . . . 15.0 110.802 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.54 122.75 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 4.2 ttmp? -67.54 121.86 80.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 15.0 110.315 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.506 ' HB3' ' NE1' ' A' ' 435' ' ' TRP . 1.8 Cg_endo -44.81 146.59 2.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 124.111 3.207 . . . . 15.0 113.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -57.97 -33.95 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.418 0.628 . . . . 15.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.35 -1.76 25.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.836 -1.074 . . . . 15.0 111.881 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.6 tp . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 112.444 0.535 . . . . 15.0 112.444 -176.632 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.282 0.563 . . . . 15.0 110.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 456' ' ' THR . 35.6 m95 -109.35 139.52 44.2 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.357 177.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.6 m -101.14 145.1 29.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.497 -1.229 . . . . 15.0 109.654 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.34 135.47 55.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.295 0.569 . . . . 15.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.0 m-85 -132.72 135.28 45.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.047 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.93 109.36 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.646 -0.872 . . . . 15.0 108.646 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.89 150.81 22.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.733 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.62 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.396 1.628 . . . . 15.0 115.396 -173.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -82.36 -1.78 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.644 -0.66 . . . . 15.0 109.506 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.26 55.8 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.058 -0.974 . . . . 15.0 114.07 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.047 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.6 mtmm -147.54 172.3 14.2 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 118.292 1.046 . . . . 15.0 112.886 175.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.724 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 p -99.2 140.23 33.68 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 114.425 -1.261 . . . . 15.0 112.015 -175.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -112.04 147.87 35.07 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.918 -1.141 . . . . 15.0 107.918 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 455' ' ' SER . 43.2 m-85 -108.62 124.94 51.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.194 0.521 . . . . 15.0 111.099 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 32.3 t80 -109.1 118.12 35.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.939 -1.028 . . . . 15.0 110.482 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.5 t-20 -90.15 126.45 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.352 -0.24 . . . . 15.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -81.12 0.31 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 124.06 0.85 . . . . 15.0 112.825 -172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.414 ' CZ ' HD21 ' A' ' 449' ' ' ASN . 19.8 mtm180 -91.68 -29.86 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.322 0.582 . . . . 15.0 110.445 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.2 p -130.09 -0.19 4.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.567 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.432 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 59.39 29.41 18.97 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.178 -177.366 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -95.5 128.99 42.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 15.0 111.215 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 1.5 m -105.98 119.91 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.449 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 4.9 t -136.19 150.28 48.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 15.0 110.575 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.4 m95 -89.55 -12.66 39.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.553 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.55 129.53 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 44.5 tttp -59.9 116.03 15.39 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 123.461 0.476 . . . . 15.0 110.908 -174.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.5 Cg_exo -59.59 157.23 32.96 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 123.748 2.965 . . . . 15.0 113.863 -172.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -64.08 -44.27 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.535 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.445 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.4 pm0 -83.33 6.58 19.3 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.513 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 463' ' ' LEU . 27.2 tp . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.855 0.359 . . . . 15.0 110.643 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.586 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 38.9 tt0 . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.059 0.457 . . . . 15.0 110.026 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -121.95 150.39 42.1 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.238 1.018 . . . . 15.0 112.049 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.2 m -122.4 141.63 51.38 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.817 -1.538 . . . . 15.0 109.135 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.65 132.62 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.431 0.634 . . . . 15.0 111.475 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.5 m-85 -126.74 133.96 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 15.0 109.853 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.927 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.6 tppp? -90.09 121.23 31.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.297 0.57 . . . . 15.0 109.59 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 p -89.62 150.82 22.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.213 -0.903 . . . . 15.0 110.342 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.29 -14.23 0.16 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.362 1.245 . . . . 15.0 114.362 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.11 -4.04 39.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.686 0.755 . . . . 15.0 110.138 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 30.06 13.46 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.144 -0.934 . . . . 15.0 114.712 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.927 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.6 mttp -150.57 167.72 26.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 118.763 1.281 . . . . 15.0 112.57 170.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.723 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 17.8 p -95.0 140.85 29.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.645 -1.161 . . . . 15.0 112.259 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -114.98 141.02 48.55 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.747 -1.205 . . . . 15.0 107.747 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 455' ' ' SER . 55.5 m-85 -93.8 123.28 37.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.395 0.616 . . . . 15.0 111.172 -173.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -109.51 119.94 40.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.778 -1.101 . . . . 15.0 110.319 -175.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.783 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 16.3 t-20 -93.44 125.19 37.92 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.401 -0.818 . . . . 15.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -75.85 -12.86 60.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.586 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 39.4 mtm180 -68.15 -56.13 9.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.893 0.378 . . . . 15.0 110.472 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 453' ' ' GLU . 44.1 p -119.03 3.58 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 15.0 111.367 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 452' ' ' THR . 49.2 mt-10 67.54 33.01 5.33 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.5 0.5 . . . . 15.0 110.353 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.783 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.3 pt-20 -89.62 127.04 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.289 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 12.5 p -113.87 125.91 54.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.191 -0.458 . . . . 15.0 111.137 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.0 t -144.07 150.33 38.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.15 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 81.0 m95 -81.13 -1.57 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.183 0.516 . . . . 15.0 110.112 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -80.53 127.87 32.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.015 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 6.8 tttm -64.19 124.8 86.64 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.283 -0.417 . . . . 15.0 110.74 -176.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.3 Cg_exo -65.59 158.25 54.19 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.352 2.701 . . . . 15.0 113.626 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.21 -39.48 94.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.091 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 434' ' ' GLU . 0.0 OUTLIER -80.09 2.45 23.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.411 -0.813 . . . . 15.0 111.621 -178.218 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.458 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 15.9 tp . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 15.0 109.929 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.735 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.95 0.405 . . . . 15.0 110.914 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 24.8 m95 -119.26 150.48 40.03 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.056 0.931 . . . . 15.0 112.268 -177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.6 m -130.7 141.07 50.39 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.633 -1.621 . . . . 15.0 109.148 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.11 130.99 57.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.655 0.741 . . . . 15.0 111.507 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.9 m-85 -120.87 133.38 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 15.0 109.606 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.923 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 122.25 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 15.0 109.79 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -89.94 150.67 22.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.281 -0.872 . . . . 15.0 109.859 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.75 -11.46 0.22 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.04 1.126 . . . . 15.0 114.04 -172.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.54 -1.37 30.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.296 0.569 . . . . 15.0 109.996 174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.37 26.65 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.474 -0.785 . . . . 15.0 114.895 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.923 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.1 mtmm -149.86 168.43 23.76 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 118.614 1.207 . . . . 15.0 113.846 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.656 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -100.33 144.14 29.69 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.278 -1.328 . . . . 15.0 112.736 -173.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 43.2 p90 -119.3 141.9 48.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.597 -1.183 . . . . 15.0 108.299 173.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -98.67 125.93 44.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.477 0.656 . . . . 15.0 111.386 -172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 64.9 t80 -110.32 120.44 42.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.846 -176.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.735 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.2 t-20 -90.06 126.89 35.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.45 -0.574 . . . . 15.0 109.45 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.96 -2.82 41.87 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.78 0.659 . . . . 15.0 112.78 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -91.58 -56.19 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.181 0.515 . . . . 15.0 109.822 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.0 p -88.31 -9.26 53.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.685 -0.688 . . . . 15.0 111.381 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 61.61 33.5 18.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.409 0.623 . . . . 15.0 109.735 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -93.0 130.51 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.482 -0.781 . . . . 15.0 111.179 -172.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.6 p -101.77 106.96 18.03 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.197 -0.91 . . . . 15.0 109.766 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -131.48 150.06 52.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.961 0.41 . . . . 15.0 110.577 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -88.33 1.33 54.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.42 127.1 32.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 81.2 tttt -77.15 118.37 71.48 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.202 0.525 . . . . 15.0 111.903 -171.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.6 Cg_endo -46.26 143.79 7.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.466 3.444 . . . . 15.0 113.963 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -64.45 -40.68 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.092 -0.958 . . . . 15.0 110.909 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.7 -0.77 21.95 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.192 -0.913 . . . . 15.0 112.483 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.441 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.5 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 15.0 110.77 -175.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.452 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 10.6 tp10 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 15.0 110.042 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -101.39 150.24 23.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.971 0.891 . . . . 15.0 111.641 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.2 m -127.65 140.12 52.29 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.877 -1.51 . . . . 15.0 109.242 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.59 130.28 56.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.73 0.776 . . . . 15.0 111.581 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 445' ' ' THR . 96.4 m-85 -123.69 136.36 54.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.724 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 1.046 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -89.87 116.71 28.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.272 -0.64 . . . . 15.0 109.272 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.66 150.81 22.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.559 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.43 -24.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.361 1.245 . . . . 15.0 114.361 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -66.17 -9.83 35.49 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.382 0.61 . . . . 15.0 110.445 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.44 28.38 17.12 Favored Glycine 0 N--CA 1.437 -1.286 0 CA-C-N 115.459 -0.791 . . . . 15.0 114.106 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 1.046 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.3 mtmm -153.01 172.3 17.05 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.517 1.158 . . . . 15.0 112.488 168.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.713 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -98.26 143.09 29.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.307 -1.315 . . . . 15.0 112.892 -173.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -123.93 145.72 48.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.531 -1.213 . . . . 15.0 107.991 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.526 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 55.9 m-85 -100.07 128.68 46.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.402 0.62 . . . . 15.0 111.416 -172.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -117.87 123.06 44.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.125 -0.943 . . . . 15.0 111.041 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.685 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.0 t-20 -90.25 126.73 35.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.79 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.439 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 42.4 m-80 -77.3 -14.67 59.7 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.201 0.815 . . . . 15.0 113.201 -171.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.452 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 42.7 mtm-85 -81.64 -63.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.228 0.537 . . . . 15.0 110.728 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.8 p -86.49 -5.23 59.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.453 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 62.61 35.33 14.39 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.7 pt-20 -97.22 129.68 44.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.878 -173.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.9 p -113.7 119.64 38.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -141.41 150.31 42.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 15.0 110.463 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.35 -6.75 58.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.986 0.422 . . . . 15.0 110.721 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -76.78 138.04 39.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.84 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 459' ' ' LYS . 3.6 ttmp? -69.78 129.78 90.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.563 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.526 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 25.2 Cg_exo -61.85 147.86 94.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.008 2.472 . . . . 15.0 112.533 -176.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.73 -23.84 67.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.572 -0.74 . . . . 15.0 111.212 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -100.01 4.18 44.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.728 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.7 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.235 0.54 . . . . 15.0 110.238 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.014 -0.434 . . . . 15.0 112.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.44 126.68 31.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.958 0.409 . . . . 15.0 111.004 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.4 p -105.86 150.14 25.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.594 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 71.83 143.92 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.851 0.72 . . . . 15.0 111.634 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.2 m -64.17 107.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.523 -0.762 . . . . 15.0 112.121 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 435' ' ' TRP . 5.8 p -113.86 107.37 15.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.597 -0.728 . . . . 15.0 110.556 175.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.772 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 24.0 tt0 72.98 -29.97 0.21 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.201 1.0 . . . . 15.0 112.115 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.408 ' H ' ' C ' ' A' ' 433' ' ' SER . 60.3 m95 -113.11 150.41 32.18 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.684 0.754 . . . . 15.0 111.377 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.0 m -133.18 133.18 42.47 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.032 -1.44 . . . . 15.0 109.644 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.607 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -115.85 139.62 50.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.768 0.794 . . . . 15.0 112.033 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.5 m-85 -126.98 138.79 53.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.856 -1.066 . . . . 15.0 108.888 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.3 tppp? -90.03 115.65 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 15.0 109.258 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.87 150.71 22.1 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.041 -0.981 . . . . 15.0 110.493 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.45 -8.16 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.72 1.007 . . . . 15.0 113.72 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.48 -5.06 37.64 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.679 0.752 . . . . 15.0 109.466 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 17.2 53.82 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 114.683 -1.144 . . . . 15.0 114.072 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.99 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.0 mtmm -152.08 173.84 14.43 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.858 1.329 . . . . 15.0 113.469 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.703 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 5.9 p -98.21 140.91 31.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 114.202 -1.363 . . . . 15.0 112.532 -175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 32.0 p90 -117.9 141.6 48.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 15.0 108.951 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.607 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.6 m-85 -98.34 126.8 43.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 15.0 111.534 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 83.5 t80 -114.34 123.11 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 15.0 110.643 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.4 t-20 -92.08 126.93 37.36 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -81.25 -7.61 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.902 0.751 . . . . 15.0 112.929 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.447 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.0 mtm105 -91.62 -50.68 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 15.0 110.677 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.9 p -88.93 -12.63 41.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.841 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 66.4 34.38 6.31 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.511 0.507 . . . . 15.0 110.188 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.0 pt-20 -105.52 139.71 39.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.971 0.415 . . . . 15.0 111.146 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 5.8 p -119.29 113.94 21.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.567 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.2 t -134.0 150.21 51.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.488 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.414 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 90.1 m95 -84.74 -3.3 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.894 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -83.68 134.47 34.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.213 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.787 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 83.5 tttt -64.25 125.29 87.94 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.832 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.5 Cg_exo -61.96 156.16 50.94 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 C-N-CA 123.532 2.821 . . . . 15.0 113.354 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -75.14 -35.54 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.934 0.874 . . . . 15.0 109.979 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.8 pm0 -87.21 8.87 22.07 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.778 -1.101 . . . . 15.0 111.444 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.07 17.94 2.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.44 0.638 . . . . 15.0 110.112 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.787 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 18.2 ptmt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.521 -0.752 . . . . 15.0 110.3 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.544 -0.622 . . . . 15.0 111.544 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.81 114.95 27.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.047 0.424 . . . . 15.0 110.916 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.4 m -86.5 110.08 19.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.911 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -142.13 125.23 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.822 0.344 . . . . 15.0 110.825 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.57 124.18 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.753 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 53.5 p -155.34 138.99 16.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.735 -0.666 . . . . 15.0 109.422 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.53 -30.18 64.97 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.622 0.249 . . . . 15.0 111.435 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 53.2 m95 -125.99 150.39 48.09 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.932 0.872 . . . . 15.0 111.599 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.9 m -135.98 136.02 40.01 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 113.696 -1.593 . . . . 15.0 109.215 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -113.35 137.96 50.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.569 0.7 . . . . 15.0 111.689 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -129.62 138.22 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.983 -1.008 . . . . 15.0 109.384 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.026 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.8 tppt? -91.05 120.93 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.69 150.63 22.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.46 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.11 -20.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.347 1.24 . . . . 15.0 114.347 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.41 -3.76 29.37 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.644 0.735 . . . . 15.0 110.056 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 27.56 20.37 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.08 -0.963 . . . . 15.0 114.684 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.026 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.2 mtmm -151.46 169.65 21.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.821 1.311 . . . . 15.0 113.263 170.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.732 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -99.8 145.57 27.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 114.417 -1.265 . . . . 15.0 112.497 -173.091 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -125.06 146.27 49.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.069 -0.969 . . . . 15.0 108.785 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 48.9 m-85 -97.18 125.7 41.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.561 0.696 . . . . 15.0 111.415 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -113.56 121.71 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.117 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.6 t-20 -90.95 126.84 36.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.283 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.45 -4.94 58.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.488 0.551 . . . . 15.0 112.488 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -79.52 -57.45 3.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.609 0.718 . . . . 15.0 109.376 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -99.15 -8.51 25.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.224 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 64.08 38.85 8.18 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.554 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -97.57 136.07 38.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.776 -177.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.7 p -109.73 121.37 45.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.472 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.6 t -139.56 150.18 44.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.892 0.377 . . . . 15.0 110.793 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -87.43 -1.69 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.106 0.479 . . . . 15.0 110.26 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.26 147.31 31.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 15.0 109.821 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.796 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 13.0 ttmm -89.1 115.55 63.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.941 0.401 . . . . 15.0 111.049 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.2 Cg_endo -54.04 149.41 35.25 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 124.065 3.177 . . . . 15.0 113.316 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -62.99 -33.84 76.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.316 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.76 -40.64 95.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.93 -1.032 . . . . 15.0 111.879 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.0 tp -128.66 64.93 1.43 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.488 0.661 . . . . 15.0 110.567 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.796 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 15.0 111.421 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 CA-C-O 121.065 0.258 . . . . 15.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.85 26.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.449 -0.574 . . . . 15.0 109.449 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 94.69 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.367 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.63 92.04 8.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.525 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.6 m -96.35 93.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 15.0 111.052 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.9 p -98.08 144.77 27.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.538 -0.756 . . . . 15.0 110.224 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.71 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 16.8 tt0 -76.5 -24.05 53.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.443 0.64 . . . . 15.0 109.577 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 460' ' ' PRO . 28.6 m95 -106.68 150.11 26.58 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-O 121.946 0.879 . . . . 15.0 110.731 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 95.1 m -122.98 137.01 55.07 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.162 -1.381 . . . . 15.0 109.191 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.77 132.79 56.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.654 0.74 . . . . 15.0 111.528 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.7 m-85 -125.43 133.19 52.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.117 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.956 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 2.7 tppp? -90.1 114.61 26.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.57 150.9 22.21 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.65 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.78 -17.64 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.095 1.146 . . . . 15.0 114.095 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -0.34 14.39 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.327 0.584 . . . . 15.0 110.445 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 24.06 29.92 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.09 -0.959 . . . . 15.0 114.994 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.956 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 11.2 mttp -154.19 173.42 16.13 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.998 1.399 . . . . 15.0 112.522 173.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -96.99 145.16 26.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.455 -1.248 . . . . 15.0 111.717 -177.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -119.76 139.14 52.76 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.167 -1.049 . . . . 15.0 108.167 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.632 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 26.0 m-85 -96.32 129.56 43.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 15.0 111.266 -172.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 59.3 t80 -120.93 124.39 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.784 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.71 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.4 t-20 -89.74 125.66 35.37 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -77.13 -15.41 59.56 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -98.4 -24.57 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.276 -0.57 . . . . 15.0 111.989 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 28.5 p -107.8 -10.17 15.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.614 0.245 . . . . 15.0 111.051 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 65.96 27.87 10.69 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.942 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.609 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.1 pt-20 -98.02 127.22 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.146 -0.621 . . . . 15.0 111.23 -173.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.4 p -111.69 115.88 29.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.4 t -146.14 150.37 35.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.459 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 85.2 m95 -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.943 0.402 . . . . 15.0 110.775 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.52 137.57 38.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.748 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.568 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 51.4 tttp -66.76 128.69 93.97 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.119 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.632 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 18.9 Cg_exo -66.22 153.57 77.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.229 2.619 . . . . 15.0 113.304 -175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 43.8 tt0 -68.94 -34.23 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.84 . . . . 15.0 111.188 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -91.47 -0.91 57.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.591 -0.731 . . . . 15.0 111.427 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.66 16.86 8.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.013 -0.539 . . . . 15.0 109.794 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 4.1 ptmm? . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.88 -0.488 . . . . 15.0 111.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -112.23 80.28 1.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.132 0.492 . . . . 15.0 110.487 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 23.3 m -83.05 84.7 7.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.932 -0.576 . . . . 15.0 110.715 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -109.97 103.09 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.127 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.46 153.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 15.0 109.827 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.8 p -65.67 145.09 56.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.055 -0.35 . . . . 15.0 110.055 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.57 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 11.5 tp10 -56.5 -30.1 62.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.247 0.546 . . . . 15.0 111.173 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 34.0 m95 -111.67 150.13 30.59 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 121.846 0.831 . . . . 15.0 110.617 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.6 m -123.36 127.62 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.895 -1.502 . . . . 15.0 109.203 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -104.38 124.21 48.8 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.707 0.765 . . . . 15.0 111.025 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.7 m-85 -112.43 130.87 55.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.368 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.959 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 9.4 tppt? -90.05 119.84 30.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.947 -0.76 . . . . 15.0 108.947 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.58 150.91 22.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.537 -174.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.08 -21.89 0.05 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.078 1.14 . . . . 15.0 114.078 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.88 -8.66 55.7 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.437 0.637 . . . . 15.0 110.185 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.28 12.42 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 115.467 0.947 . . . . 15.0 115.467 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.959 ' HA ' ' HD2' ' A' ' 439' ' ' LYS 0.257 14.6 mttp -147.9 174.72 11.59 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 119.202 1.501 . . . . 15.0 112.503 165.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -102.73 148.21 25.88 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.787 -1.551 . . . . 15.0 112.46 -173.566 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.96 144.85 50.4 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 48.7 m-85 -97.83 127.22 43.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.089 0.471 . . . . 15.0 112.066 -170.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.5 t80 -110.41 122.64 48.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.59 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.57 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.4 t-20 -93.25 137.04 32.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.407 -0.36 . . . . 15.0 110.4 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.73 10.14 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 15.0 112.464 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.537 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 30.2 mtm-85 -102.49 -31.63 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 15.0 110.519 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -117.84 -6.03 11.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.846 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.38 47.92 15.69 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.326 0.391 . . . . 15.0 110.52 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -116.84 145.93 43.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.062 0.458 . . . . 15.0 111.266 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 34.2 p -117.91 123.3 45.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.613 -0.722 . . . . 15.0 110.149 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.9 t -131.62 150.08 52.27 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -93.67 -6.45 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.371 . . . . 15.0 110.93 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -89.39 133.79 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 15.0 109.941 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.5 tttm -67.49 119.78 68.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 15.0 109.809 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.421 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 17.2 Cg_exo -68.11 146.78 71.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 123.04 2.493 . . . . 15.0 112.743 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 122.075 0.94 . . . . 15.0 109.44 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.8 -17.0 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.719 -1.582 . . . . 15.0 111.613 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.5 tp -147.76 70.51 1.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.383 0.611 . . . . 15.0 110.338 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.1 pttm . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.199 -0.905 . . . . 15.0 110.33 -177.811 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.821 -0.512 . . . . 15.0 111.821 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -162.86 110.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.707 0.289 . . . . 15.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 31.5 m -111.14 127.03 55.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.489 -0.323 . . . . 15.0 110.38 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -128.0 119.54 25.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.026 0.441 . . . . 15.0 110.522 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.8 m -94.94 111.91 26.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.542 0.687 . . . . 15.0 110.576 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.9 p -131.65 117.96 19.38 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.539 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.755 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.6 tt0 -73.95 -29.92 62.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.237 0.541 . . . . 15.0 110.31 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 42.0 m95 -113.62 150.14 33.56 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.734 0.778 . . . . 15.0 110.523 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 64.8 m -126.84 134.71 50.47 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.058 -1.428 . . . . 15.0 109.756 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -112.95 130.34 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.428 0.633 . . . . 15.0 111.12 179.364 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.0 m-85 -118.84 131.56 56.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -90.25 114.78 26.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.61 150.65 22.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.854 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.25 -18.64 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.443 1.275 . . . . 15.0 114.443 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.14 -2.16 23.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.409 0.623 . . . . 15.0 110.371 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 26.89 22.14 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.203 -0.908 . . . . 15.0 114.802 172.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.0 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -153.65 169.24 23.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.705 1.253 . . . . 15.0 113.103 171.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -98.21 148.4 23.63 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 114.501 -1.227 . . . . 15.0 112.367 -177.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.8 p90 -126.01 148.79 49.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.985 -1.007 . . . . 15.0 108.432 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 69.8 m-85 -105.09 126.33 51.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 15.0 111.815 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 69.2 t80 -114.15 124.43 52.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.737 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.755 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.24 134.6 34.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -90.48 -1.19 57.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.996 0.739 . . . . 15.0 112.996 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.485 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.5 mtm180 -100.49 -45.34 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.871 -0.518 . . . . 15.0 111.413 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.4 p -91.23 -17.41 26.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.826 0.346 . . . . 15.0 110.454 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.15 64.69 0.95 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.323 -0.853 . . . . 15.0 110.423 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 15.5 pt-20 -135.31 141.91 45.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.432 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.1 p -119.04 113.2 20.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.165 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.2 t -133.17 150.55 52.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.245 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 82.5 m95 -87.53 -3.3 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.367 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -81.67 136.68 35.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.963 -0.755 . . . . 15.0 108.963 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 39.5 tttm -72.22 115.29 37.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.866 0.365 . . . . 15.0 111.009 -172.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 435' ' ' TRP . 5.0 Cg_exo -42.95 134.05 5.63 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 124.41 3.407 . . . . 15.0 113.709 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.4 -44.76 76.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.969 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -68.61 -4.52 15.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.843 -1.072 . . . . 15.0 111.952 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 16.2 tp -146.13 29.58 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 15.0 110.019 -171.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 4.6 ptmm? . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.855 -0.612 . . . . 15.0 111.564 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.308 -0.317 . . . . 15.0 112.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -121.11 94.46 4.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.762 0.315 . . . . 15.0 110.458 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 18.2 m -74.42 128.77 36.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.482 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -77.3 89.44 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 15.0 111.09 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.28 175.36 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.767 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.8 p -58.47 146.29 35.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.205 -0.907 . . . . 15.0 109.707 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.785 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 11.7 tt0 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.361 0.601 . . . . 15.0 110.367 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.4 ' CZ3' HG22 ' A' ' 456' ' ' THR . 33.8 m95 -109.95 150.06 29.02 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.934 0.873 . . . . 15.0 110.732 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.9 m -122.94 134.06 54.36 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 113.932 -1.486 . . . . 15.0 109.379 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 132.59 54.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.638 0.733 . . . . 15.0 111.512 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 445' ' ' THR . 83.3 m-85 -128.59 135.06 48.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.362 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.077 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.7 tppp? -89.81 114.53 26.27 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.972 -0.751 . . . . 15.0 108.972 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.79 150.95 22.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.805 -1.088 . . . . 15.0 110.808 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.46 -16.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.23 1.196 . . . . 15.0 114.23 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -73.53 -1.67 19.54 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.83 -0.544 . . . . 15.0 110.369 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 22.08 35.6 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.468 -0.787 . . . . 15.0 114.7 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.077 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -153.94 172.96 16.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.745 1.272 . . . . 15.0 112.854 172.192 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.747 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -95.86 143.09 27.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 114.414 -1.266 . . . . 15.0 112.283 -176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 31.9 p90 -115.95 148.56 39.95 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.927 -1.138 . . . . 15.0 107.927 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 41.1 m-85 -106.71 118.75 37.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 15.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.4 t80 -107.88 126.31 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.576 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.785 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.3 t-20 -89.81 133.45 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -81.66 -24.32 36.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -171.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.3 mtm180 -84.85 -55.82 3.89 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 15.0 111.469 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.1 p -76.4 -24.51 54.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.163 0.506 . . . . 15.0 110.151 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 34.2 mt-10 61.92 75.32 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.724 -1.125 . . . . 15.0 110.61 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.9 pt-20 -145.42 145.96 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.754 -1.112 . . . . 15.0 110.426 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.6 m -111.04 113.06 25.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.792 0.329 . . . . 15.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.4 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.8 t -120.72 150.14 41.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.952 0.406 . . . . 15.0 110.527 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.71 6.93 47.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 15.0 110.42 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -95.13 135.51 36.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.747 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 29.5 tttm -60.52 120.81 55.64 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.61 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.9 Cg_exo -63.2 154.94 64.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.305 2.67 . . . . 15.0 113.204 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' A' ' 464' ' ' LYS . 5.6 tp60 -64.82 -33.94 77.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.769 . . . . 15.0 111.395 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -93.5 3.57 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.317 -179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 24.6 tp -130.32 19.75 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.722 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.551 ' H ' ' HD3' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.576 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.371 -0.692 . . . . 15.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.34 81.08 0.21 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.434 0.635 . . . . 15.0 110.794 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 4.1 t -156.5 121.17 4.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.649 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.65 15.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 15.0 110.584 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 435' ' ' TRP . 28.6 t -80.59 72.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.221 0.534 . . . . 15.0 110.39 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 435' ' ' TRP . 23.4 p -99.32 89.82 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.646 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.756 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 71.16 -30.09 0.2 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.843 0.857 . . . . 15.0 111.513 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.479 ' H ' ' C ' ' A' ' 433' ' ' SER . 30.4 m95 -110.58 150.07 29.47 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.45 0.643 . . . . 15.0 110.267 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -120.39 131.21 54.71 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.334 -1.303 . . . . 15.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -115.03 131.8 56.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.751 0.786 . . . . 15.0 111.625 -176.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.7 m-85 -128.9 135.56 49.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 15.0 109.08 175.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.965 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.1 tppp? -89.8 115.79 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.038 -0.727 . . . . 15.0 109.038 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.92 150.76 22.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.858 -1.065 . . . . 15.0 110.388 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.78 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.475 1.287 . . . . 15.0 114.475 -174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.96 -0.55 21.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.502 0.668 . . . . 15.0 110.137 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 27.83 19.57 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.28 -0.873 . . . . 15.0 114.585 171.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.965 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 21.9 mttp -153.69 167.46 29.51 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.542 1.171 . . . . 15.0 113.245 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 29.7 p -96.29 140.87 30.34 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.704 -1.135 . . . . 15.0 112.034 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -112.52 144.33 42.16 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.264 -1.013 . . . . 15.0 108.264 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -106.04 119.27 38.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 15.0 111.294 -173.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 71.9 t80 -106.82 121.52 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.2 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.756 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.3 t-20 -90.08 124.85 35.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.754 -0.461 . . . . 15.0 109.754 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -83.68 8.41 14.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.674 -0.694 . . . . 15.0 112.627 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 41.7 mtm105 -111.17 -18.26 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.996 -0.44 . . . . 15.0 111.423 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -123.96 -3.98 8.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.481 -0.327 . . . . 15.0 111.236 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 60.99 33.07 19.89 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.2 pt-20 -104.23 129.17 52.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.486 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.3 m -103.01 111.05 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.024 -0.535 . . . . 15.0 109.705 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -119.13 150.05 40.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.919 0.39 . . . . 15.0 110.781 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.9 m95 -94.64 5.19 52.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.477 174.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.4 131.45 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 15.0 109.376 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.921 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 82.5 tttt -68.83 124.3 89.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.0 Cg_exo -64.6 145.96 88.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.794 2.329 . . . . 15.0 112.168 -176.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 30.9 tt0 -70.83 -27.11 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.152 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.42 -2.72 36.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.939 -1.028 . . . . 15.0 111.416 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 27.8 tp -135.12 14.02 3.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.899 0.38 . . . . 15.0 110.749 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.921 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 11.2 ptmm? . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.115 -0.945 . . . . 15.0 111.545 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 112.018 -0.433 . . . . 15.0 112.018 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.38 93.71 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.996 0.518 . . . . 15.0 111.253 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.8 t -146.62 168.67 20.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.593 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 63.7 76.16 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.386 0.674 . . . . 15.0 111.422 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.64 84.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.973 0.892 . . . . 15.0 110.455 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.4 p -158.73 107.3 1.92 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.508 ' HG2' ' NH1' ' A' ' 451' ' ' ARG . 7.2 tp10 -130.58 -25.34 2.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.743 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.08 150.29 29.59 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.619 0.723 . . . . 15.0 111.045 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.3 m -123.98 135.62 53.77 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.288 -1.324 . . . . 15.0 109.272 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -108.82 134.82 51.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.421 0.629 . . . . 15.0 111.149 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 68.5 m-85 -122.6 134.88 54.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.16 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.97 116.89 28.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.263 0.554 . . . . 15.0 109.738 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.9 p -89.73 150.83 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.814 -1.084 . . . . 15.0 110.599 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.84 -21.83 0.07 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.364 1.246 . . . . 15.0 114.364 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.74 -2.19 13.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.523 0.678 . . . . 15.0 110.494 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.41 22.83 33.3 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.267 -0.879 . . . . 15.0 114.497 171.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.987 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.4 mtmm -151.11 172.38 15.87 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.73 1.265 . . . . 15.0 112.481 171.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 p -94.72 141.13 28.98 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.862 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 11.5 p90 -116.81 148.33 41.31 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 173.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 455' ' ' SER . 76.9 m-85 -104.11 127.07 51.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.31 0.576 . . . . 15.0 112.159 -169.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.459 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 87.3 t80 -113.92 125.37 53.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.67 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.79 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.1 t-20 -102.72 131.09 49.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.984 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -84.21 -0.82 53.69 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.012 0.745 . . . . 15.0 113.012 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 21.6 mtm180 -86.13 -33.64 20.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.013 0.435 . . . . 15.0 110.678 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.4 p -132.53 -1.52 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.256 -171.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.459 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 2.1 mp0 64.19 31.3 13.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.555 -174.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.9 pt-20 -89.94 133.03 35.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.056 0.455 . . . . 15.0 110.771 -173.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 26.1 p -118.43 117.72 29.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.989 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.7 t -132.83 150.3 52.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.482 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.473 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 89.1 m95 -86.92 -1.04 57.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.431 -0.35 . . . . 15.0 111.617 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.75 145.2 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.686 -0.487 . . . . 15.0 109.686 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 33.2 tttm -67.77 123.97 88.24 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.181 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.546 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 55.7 Cg_exo -55.78 152.33 35.73 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.784 2.989 . . . . 15.0 113.681 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.89 -38.71 91.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.627 . . . . 15.0 110.774 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -97.05 7.21 47.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.502 -0.772 . . . . 15.0 112.094 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 26.3 tp -136.79 19.01 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.29 0.567 . . . . 15.0 110.408 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.4 pttm . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.847 -0.597 . . . . 15.0 110.243 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.933 -0.467 . . . . 15.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 54.16 77.04 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.51 . . . . 15.0 111.23 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 22.1 m -102.71 93.04 4.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.525 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -97.75 84.98 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.64 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.5 p -176.41 137.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.32 -0.855 . . . . 15.0 109.611 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.55 95.26 4.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.248 0.547 . . . . 15.0 110.655 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.889 ' HG2' ' HG3' ' A' ' 451' ' ' ARG . 8.5 tp10 -86.87 -15.39 39.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.214 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 30.8 m95 -94.77 150.13 20.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.979 0.895 . . . . 15.0 111.344 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.7 m -124.77 143.55 50.73 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.969 -1.469 . . . . 15.0 109.485 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -114.08 131.53 56.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.569 0.7 . . . . 15.0 111.354 -178.605 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.5 m-85 -125.15 132.82 53.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 15.0 109.331 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.063 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.4 tppp? -89.91 113.56 25.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.56 150.87 22.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.307 -0.861 . . . . 15.0 110.575 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.84 0.1 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.106 1.151 . . . . 15.0 114.106 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.27 -1.7 4.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.218 0.532 . . . . 15.0 110.749 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 17.02 54.33 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.392 -0.822 . . . . 15.0 114.844 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.063 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -149.65 172.15 15.51 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.971 1.385 . . . . 15.0 113.044 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.777 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -97.74 143.82 27.99 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.386 -1.279 . . . . 15.0 112.474 -174.024 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -125.16 147.32 49.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.682 -1.145 . . . . 15.0 107.972 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 64.7 m-85 -103.03 124.48 48.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 15.0 111.549 -172.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -109.58 122.73 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.003 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.8 t-20 -91.14 126.69 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.479 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.443 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 54.2 m-80 -79.68 -16.18 56.18 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.82 0.674 . . . . 15.0 112.82 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.889 ' HG3' ' HG2' ' A' ' 434' ' ' GLU . 50.0 mtm-85 -73.01 -55.96 5.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.2 0.524 . . . . 15.0 110.538 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.6 p -102.32 -2.98 27.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.434 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 62.6 38.04 12.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.115 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.69 130.04 53.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.764 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -111.93 121.99 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.4 -0.364 . . . . 15.0 111.107 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.9 t -139.45 150.41 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.13 -6.78 52.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.056 0.455 . . . . 15.0 110.936 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.39 122.59 32.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.377 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 39.0 ttpt -63.49 128.42 92.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 111.279 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.444 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 52.7 Cg_endo -68.23 159.72 51.99 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.492 2.794 . . . . 15.0 113.653 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.666 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 45.4 tp60 -62.04 -33.29 74.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.823 -1.081 . . . . 15.0 111.246 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.88 1.07 18.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.291 -0.868 . . . . 15.0 111.851 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.0 tp -133.75 18.53 3.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.883 0.373 . . . . 15.0 110.381 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 5.6 ptmm? . . . . . 0 C--O 1.254 1.339 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.372 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.833 -0.507 . . . . 15.0 111.833 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -147.19 105.51 3.78 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.7 t -111.72 124.82 53.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.287 0.565 . . . . 15.0 110.922 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -165.21 99.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.208 -0.906 . . . . 15.0 109.138 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.0 t 55.19 69.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.52 0.676 . . . . 15.0 109.892 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 435' ' ' TRP . 1.1 p -106.07 93.77 4.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.673 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 69.78 -27.67 0.16 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.174 0.99 . . . . 15.0 111.653 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.492 ' H ' ' C ' ' A' ' 433' ' ' SER . 63.9 m95 -101.43 150.35 23.13 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.822 0.82 . . . . 15.0 110.866 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.5 m -124.46 142.36 51.37 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.017 -1.447 . . . . 15.0 109.103 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.38 131.51 54.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.642 0.734 . . . . 15.0 111.566 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.9 m-85 -130.78 134.94 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.513 -0.767 . . . . 15.0 109.437 175.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.951 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.2 tppp? -91.24 117.89 30.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.8 150.88 22.06 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.463 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.16 -18.3 0.05 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.6 1.333 . . . . 15.0 114.6 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.43 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 7.3 p-10 -75.27 -1.23 22.57 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.347 0.594 . . . . 15.0 110.173 175.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 28.39 18.0 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.313 -0.858 . . . . 15.0 115.018 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.951 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmt -152.4 166.3 32.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.182 0.991 . . . . 15.0 113.441 171.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.693 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 16.1 p -97.03 139.63 32.75 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.449 -1.251 . . . . 15.0 111.806 -176.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -114.13 141.03 48.01 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.28 -1.007 . . . . 15.0 108.28 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 39.0 m-85 -98.2 119.27 36.57 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.241 0.543 . . . . 15.0 111.028 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 57.9 t80 -106.62 122.52 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.091 -0.958 . . . . 15.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.666 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.4 t-20 -97.01 130.67 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.394 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.47 -2.12 55.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 15.0 112.617 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.48 -26.63 20.83 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.51 . . . . 15.0 110.351 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 13.1 p -132.15 -1.51 3.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.871 -170.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 58.26 27.72 15.59 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.835 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.8 pt-20 -93.64 146.64 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.626 -0.429 . . . . 15.0 110.978 -171.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 m -123.43 114.64 20.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.78 0.324 . . . . 15.0 110.715 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -124.93 150.18 46.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.175 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.601 ' CZ3' ' HE3' ' A' ' 444' ' ' LYS . 91.8 m95 -94.7 4.65 53.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.191 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -98.11 149.1 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 26.8 tttm -71.04 116.2 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.593 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 36.5 Cg_exo -62.12 153.91 66.18 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.5 2.8 . . . . 15.0 113.286 -175.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -35.26 78.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.823 -178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.31 1.36 57.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.449 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 25.9 tp -128.08 24.8 5.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.308 0.575 . . . . 15.0 109.726 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.435 ' OXT' ' HG3' ' A' ' 464' ' ' LYS . 23.7 pttm . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.321 -0.847 . . . . 15.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.464 -0.655 . . . . 15.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -120.82 92.82 3.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.853 0.358 . . . . 15.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.9 t -132.94 106.29 7.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.411 0.624 . . . . 15.0 110.423 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -166.33 91.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.231 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 463' ' ' LEU . 3.7 p -138.86 113.98 8.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.218 0.532 . . . . 15.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.6 p -167.8 49.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.657 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 21.9 tt0 -126.31 -22.32 4.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.961 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -112.56 150.16 31.72 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.927 0.87 . . . . 15.0 111.227 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 55.5 m -130.69 132.72 45.56 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 113.453 -1.703 . . . . 15.0 109.187 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.0 OUTLIER -117.85 130.59 56.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.833 0.825 . . . . 15.0 111.124 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.7 m-85 -123.36 143.87 49.83 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.966 -1.015 . . . . 15.0 109.208 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.055 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.7 120.19 30.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 178.755 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.76 150.75 22.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.91 -1.041 . . . . 15.0 110.348 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.35 -18.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.791 1.034 . . . . 15.0 113.791 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.05 -7.04 37.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.692 0.758 . . . . 15.0 110.011 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.25 40.88 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 114.904 -1.044 . . . . 15.0 114.747 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.055 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.2 mtmm -148.31 174.55 11.91 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.015 1.407 . . . . 15.0 112.464 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.624 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 2.1 p -96.44 143.75 27.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 114.541 -1.209 . . . . 15.0 112.948 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 46.2 p90 -117.48 149.95 39.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.618 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 77.1 m-85 -101.15 126.08 47.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 15.0 111.495 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 48.2 t80 -115.03 121.77 44.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.848 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.657 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.47 129.72 36.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.203 -0.666 . . . . 15.0 109.203 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -79.99 -13.93 58.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.51 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 35.0 mtm105 -82.08 -55.06 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.913 -0.492 . . . . 15.0 110.67 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -86.49 -11.18 52.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.457 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.49 31.29 14.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.396 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.3 pt-20 -97.54 139.94 32.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.928 -173.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.2 m -115.56 120.78 40.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.031 -0.531 . . . . 15.0 109.719 176.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -139.34 150.2 45.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.622 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -87.53 -1.93 58.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.341 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.64 128.9 33.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.246 -0.65 . . . . 15.0 109.246 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.7 tttm -75.17 118.58 71.66 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.06 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.518 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.1 Cg_endo -44.4 150.38 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.585 3.524 . . . . 15.0 113.323 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -82.07 -31.67 30.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.754 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.7 pm0 -74.68 -14.8 60.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.68 -1.146 . . . . 15.0 110.72 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 432' ' ' VAL . 56.0 tp -137.62 66.32 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.741 0.781 . . . . 15.0 109.711 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.06 -178.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.841 -0.503 . . . . 15.0 111.841 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -136.13 119.53 16.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.801 0.334 . . . . 15.0 110.296 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.8 t -115.99 156.5 26.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.27 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 66.73 102.85 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.868 0.73 . . . . 15.0 111.356 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.22 141.1 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.193 0.521 . . . . 15.0 110.632 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.4 p -77.75 132.55 38.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.43 -0.804 . . . . 15.0 110.161 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.604 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 39.9 tt0 -80.9 -27.59 36.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.81 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -120.01 150.41 40.59 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.999 0.904 . . . . 15.0 112.046 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.9 m -121.83 133.12 54.89 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 113.704 -1.589 . . . . 15.0 108.973 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.28 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.378 0.608 . . . . 15.0 111.564 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 445' ' ' THR . 69.0 m-85 -132.75 136.56 46.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.265 176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.052 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.1 tppt? -89.94 116.36 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.74 150.75 22.16 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.713 -1.131 . . . . 15.0 110.091 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.69 -12.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.852 1.056 . . . . 15.0 113.852 -176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -70.04 -6.74 35.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.319 0.58 . . . . 15.0 109.972 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.33 16.01 56.22 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.098 -0.956 . . . . 15.0 114.145 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.052 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.7 mttp -146.76 177.1 9.36 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.53 1.165 . . . . 15.0 112.437 172.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.668 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -102.0 144.97 29.95 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.569 -1.651 . . . . 15.0 112.915 -173.132 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -125.85 149.19 48.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.589 -1.263 . . . . 15.0 107.589 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.439 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 67.9 m-85 -107.81 127.35 53.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.449 0.643 . . . . 15.0 111.822 -170.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.514 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 57.4 t80 -105.04 117.83 34.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.705 -1.134 . . . . 15.0 110.396 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.656 ' HB3' ' CG ' ' A' ' 454' ' ' GLU . 15.4 t-20 -91.16 124.96 35.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.749 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -81.25 5.64 16.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.483 -0.78 . . . . 15.0 113.066 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.604 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 19.5 mtm180 -83.53 -60.43 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 15.0 109.751 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 54.4 p -113.07 5.46 17.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.895 -1.048 . . . . 15.0 110.735 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.514 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 63.67 36.89 10.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.333 -174.655 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.656 ' CG ' ' HB3' ' A' ' 449' ' ' ASN . 11.8 pt-20 -90.09 121.05 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.619 . . . . 15.0 109.988 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -109.12 119.87 40.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.643 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -141.97 150.23 41.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 15.0 110.756 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 93.3 m95 -77.87 -5.04 49.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.339 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -71.22 124.57 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 15.0 110.02 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.82 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 79.0 tttt -60.47 130.25 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.393 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.439 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 10.4 Cg_exo -69.03 153.24 72.61 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.967 2.445 . . . . 15.0 113.206 -172.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 5.9 tp60 -64.85 -32.58 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.128 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -94.56 5.95 50.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.904 -177.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.408 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 20.2 tp -136.74 16.82 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 15.0 110.468 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.82 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.386 -0.816 . . . . 15.0 111.591 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.951 0 N-CA-C 112.011 -0.435 . . . . 15.0 112.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 59.36 89.72 0.06 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.033 0.533 . . . . 15.0 111.7 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.0 p -125.42 132.96 52.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.339 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.69 141.65 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 15.0 109.968 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.6 m 39.45 64.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 124.33 1.019 . . . . 15.0 112.778 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.5 p -80.52 114.58 19.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.453 -0.794 . . . . 15.0 111.495 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 450' ' ' ASN . 11.4 tp10 -71.24 -22.79 61.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.551 0.691 . . . . 15.0 110.224 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 56.8 m95 -105.52 150.39 25.38 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.29 -0.868 . . . . 15.0 110.924 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.7 m -130.11 137.95 50.44 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.408 -1.269 . . . . 15.0 109.54 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -114.82 129.74 56.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.546 0.688 . . . . 15.0 111.656 -175.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 73.0 m-85 -125.19 135.06 52.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.562 -0.744 . . . . 15.0 109.67 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.024 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.75 111.32 22.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.2 p -89.87 150.78 22.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.137 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.72 -14.69 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.255 1.206 . . . . 15.0 114.255 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.85 4.69 11.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.51 0.672 . . . . 15.0 110.387 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 11.45 62.81 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 115.837 1.095 . . . . 15.0 115.837 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.024 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -150.56 177.65 9.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.87 1.835 . . . . 15.0 113.555 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.2 p -97.6 141.56 30.49 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 113.3 -1.773 . . . . 15.0 112.428 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 26.3 p90 -121.93 145.52 48.02 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.483 -0.932 . . . . 15.0 108.483 175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -95.73 121.86 37.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.964 0.411 . . . . 15.0 110.609 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -107.01 123.05 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.367 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.48 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.3 t-20 -98.56 130.28 45.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.011 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.478 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 55.5 m-80 -80.56 -15.58 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.814 0.672 . . . . 15.0 112.814 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 -57.19 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.413 0.625 . . . . 15.0 110.089 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -95.83 -6.54 39.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.429 -0.805 . . . . 15.0 111.465 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.55 35.35 22.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.42 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -99.05 150.05 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.691 -173.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 8.7 m -122.84 116.83 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.152 178.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.0 t -130.85 150.26 52.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 15.0 110.697 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 82.8 m95 -91.92 6.17 47.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.464 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.85 145.36 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.073 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 69.3 tttt -68.86 126.26 92.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.823 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 31.8 Cg_exo -60.39 147.44 94.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.275 2.65 . . . . 15.0 112.411 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 32.6 tp60 -73.17 -23.96 60.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 15.0 110.14 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.434 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.5 pm0 -81.33 -2.28 48.53 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.828 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.55 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.7 tp -132.1 13.55 4.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.883 0.373 . . . . 15.0 110.437 -176.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 3.3 ptmm? . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.428 -0.796 . . . . 15.0 112.107 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.825 -0.51 . . . . 15.0 111.825 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.86 96.09 9.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.926 0.393 . . . . 15.0 110.814 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.8 m -75.71 135.8 40.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.082 -0.508 . . . . 15.0 109.958 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 63.92 81.55 0.2 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.76 0.662 . . . . 15.0 110.908 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.77 128.42 9.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.966 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.8 p 52.63 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.803 0.841 . . . . 15.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.585 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 16.3 tp10 -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 15.0 109.607 174.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.498 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 49.6 m95 -106.92 143.72 34.6 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.399 -0.818 . . . . 15.0 110.382 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -109.08 138.78 44.9 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.087 -1.415 . . . . 15.0 109.001 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.54 125.57 53.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.682 0.753 . . . . 15.0 110.552 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.6 m-85 -113.89 128.91 56.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.182 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.997 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -90.03 115.09 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 15.0 109.215 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.76 150.94 22.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.652 -1.158 . . . . 15.0 110.78 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -36.36 -32.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.454 1.279 . . . . 15.0 114.454 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.33 -5.65 11.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.89 0.376 . . . . 15.0 111.372 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 27.45 20.59 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 119.477 -0.624 . . . . 15.0 114.594 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.997 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -152.12 173.04 15.42 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.352 1.076 . . . . 15.0 112.066 168.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.658 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 15.0 p -98.08 142.76 29.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.461 -1.245 . . . . 15.0 113.03 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -117.23 147.02 42.89 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.013 -1.106 . . . . 15.0 108.013 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 32.0 m-85 -101.46 133.52 45.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.403 0.621 . . . . 15.0 111.768 -169.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -121.18 121.95 38.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.265 -0.88 . . . . 15.0 110.992 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.585 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.07 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.932 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.06 -29.41 39.18 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.576 0.547 . . . . 15.0 112.394 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.52 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 26.3 mtm180 -61.9 -61.93 2.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.122 0.487 . . . . 15.0 111.125 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 8.5 p -93.45 -4.72 50.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.95 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 62.92 32.07 15.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.998 0.427 . . . . 15.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.2 pt-20 -97.14 133.63 41.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.09 0.472 . . . . 15.0 110.821 -174.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.6 p -114.24 120.59 40.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.907 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.1 t -141.41 150.14 41.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.95 0.405 . . . . 15.0 110.48 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -83.45 -1.83 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.891 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.08 145.8 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.088 -0.506 . . . . 15.0 110.677 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.9 tttm -64.98 126.1 90.51 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.635 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_exo -60.96 150.61 83.07 Favored 'Trans proline' 0 N--CA 1.476 0.471 0 C-N-CA 123.541 2.827 . . . . 15.0 113.288 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.608 ' O ' ' HD2' ' A' ' 464' ' ' LYS . 51.2 tt0 -72.05 -40.55 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.754 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.498 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.6 pm0 -79.98 2.28 24.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.154 178.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 22.4 tp -133.87 26.97 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.07 0.462 . . . . 15.0 110.097 -177.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.192 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.521 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 N-CA-C 111.916 -0.474 . . . . 15.0 111.916 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -161.75 77.39 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.116 0.484 . . . . 15.0 109.993 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 82.6 m -102.58 111.02 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.642 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -163.42 81.68 0.46 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.179 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.5 p -105.26 80.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.444 1.116 . . . . 15.0 110.141 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.7 p -164.68 108.97 0.92 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.443 -1.253 . . . . 15.0 108.632 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.719 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.8 tt0 -90.65 -17.97 25.92 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.167 0.508 . . . . 15.0 110.645 -171.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 31.7 m95 -119.79 150.24 40.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 122.114 0.959 . . . . 15.0 111.757 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.8 m -131.28 148.39 52.68 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.625 -1.625 . . . . 15.0 109.067 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.31 140.88 52.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.387 0.613 . . . . 15.0 111.083 -178.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 81.8 m-85 -136.81 138.78 41.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.011 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.002 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.95 116.41 27.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.723 0.773 . . . . 15.0 109.578 -178.261 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.78 150.83 22.1 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.312 -1.313 . . . . 15.0 110.309 -177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.23 -1.47 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.0 -5.55 49.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.59 0.71 . . . . 15.0 109.184 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 19.7 44.7 Favored Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 114.855 -1.066 . . . . 15.0 113.841 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.002 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.9 mtmm -153.15 175.83 12.6 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 118.392 1.096 . . . . 15.0 112.927 171.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.621 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 13.2 p -99.46 140.87 33.0 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 114.478 -1.237 . . . . 15.0 112.178 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -110.98 146.57 36.42 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.268 -0.878 . . . . 15.0 108.648 175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -100.67 124.07 45.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.256 0.55 . . . . 15.0 110.967 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 78.3 t80 -113.71 125.41 54.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.985 -1.007 . . . . 15.0 110.871 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.719 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.2 t-20 -92.8 129.37 38.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.554 -0.536 . . . . 15.0 109.554 177.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.41 -24.2 50.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 -172.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.464 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.8 mtm105 -76.72 -46.05 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.564 -0.454 . . . . 15.0 111.383 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.5 p -94.92 -14.04 24.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.836 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.22 36.24 12.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.945 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.3 pt-20 -102.54 150.05 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.75 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 m -124.33 123.71 40.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.992 0.425 . . . . 15.0 110.65 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.9 t -136.15 150.12 48.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.305 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.428 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.0 m95 -90.52 4.43 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 15.0 111.115 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.56 139.17 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.049 -0.722 . . . . 15.0 109.049 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 23.4 ttmm -75.74 116.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.402 -0.363 . . . . 15.0 111.203 -175.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 2.7 Cg_endo -50.48 145.53 21.76 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.653 2.902 . . . . 15.0 112.735 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.06 -29.86 70.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.2 -0.909 . . . . 15.0 111.439 -175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -82.26 -3.48 55.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.769 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.8 tp -121.34 1.34 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 15.0 111.417 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.52 ' HB2' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.561 -0.733 . . . . 15.0 110.774 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 112.394 -0.282 . . . . 15.0 112.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -118.51 110.47 17.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.85 0.357 . . . . 15.0 110.237 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.9 p -86.1 102.7 14.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.237 0.541 . . . . 15.0 111.39 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -88.37 93.32 9.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.001 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 45.3 t -85.64 100.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.593 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.0 p -152.59 122.58 7.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.913 -0.585 . . . . 15.0 109.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 451' ' ' ARG . 9.6 tp10 -77.77 -19.97 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.44 0.638 . . . . 15.0 110.314 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.506 ' NE1' ' HB3' ' A' ' 460' ' ' PRO . 43.6 m95 -102.47 150.01 23.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.734 0.778 . . . . 15.0 111.589 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -124.76 135.88 53.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.064 -1.425 . . . . 15.0 109.51 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -116.35 134.26 55.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.571 0.701 . . . . 15.0 111.599 -177.221 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 445' ' ' THR . 79.6 m-85 -127.18 138.71 53.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.3 -0.864 . . . . 15.0 108.782 174.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.988 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.0 tppt? -89.88 116.7 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.454 0.645 . . . . 15.0 109.779 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 p -89.76 151.0 22.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.766 -1.106 . . . . 15.0 110.502 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.87 0.27 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.936 1.087 . . . . 15.0 113.936 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -78.46 -6.29 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.863 -0.791 . . . . 15.0 108.863 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 15.48 57.06 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.808 -1.087 . . . . 15.0 113.65 177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.988 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -148.07 175.5 10.97 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 122.338 1.066 . . . . 15.0 113.164 173.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -99.35 143.26 29.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.61 -1.632 . . . . 15.0 111.88 -174.559 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.04 142.41 47.86 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 68.7 m-85 -101.1 122.92 44.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.299 0.571 . . . . 15.0 111.579 -171.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 82.2 t80 -106.39 121.97 45.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.227 -0.897 . . . . 15.0 110.242 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.15 125.25 35.38 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -78.88 -3.22 43.59 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.246 0.966 . . . . 15.0 112.687 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.503 ' CZ ' ' HG2' ' A' ' 434' ' ' GLU . 22.6 mtm180 -95.98 -56.29 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 15.0 110.531 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 p -89.66 -0.48 57.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.667 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.2 32.64 20.92 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.996 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.2 pt-20 -108.27 141.87 39.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.517 -0.473 . . . . 15.0 111.277 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -117.51 112.18 20.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.164 0.506 . . . . 15.0 110.385 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.1 t -131.56 150.15 52.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.244 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.7 m95 -84.44 -6.63 59.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.4 -0.364 . . . . 15.0 110.802 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.54 122.75 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 4.2 ttmp? -67.54 121.86 80.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 15.0 110.315 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.506 ' HB3' ' NE1' ' A' ' 435' ' ' TRP . 1.8 Cg_endo -44.81 146.59 2.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 124.111 3.207 . . . . 15.0 113.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -57.97 -33.95 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.418 0.628 . . . . 15.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.35 -1.76 25.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.836 -1.074 . . . . 15.0 111.881 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.6 tp -126.06 -21.23 4.36 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.444 0.535 . . . . 15.0 112.444 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 12.6 pttm . . . . . 0 C--O 1.247 0.968 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.747 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.795 -0.522 . . . . 15.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 68.25 105.83 0.05 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.192 0.597 . . . . 15.0 112.12 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.0 m 60.55 31.7 20.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.557 -0.747 . . . . 15.0 111.144 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -135.94 97.95 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.605 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.0 p -171.18 122.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.82 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.0 p 58.86 121.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.468 1.107 . . . . 15.0 113.339 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.62 -29.77 70.27 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.501 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 456' ' ' THR . 35.6 m95 -109.35 139.52 44.2 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.357 177.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.6 m -101.14 145.1 29.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.497 -1.229 . . . . 15.0 109.654 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.34 135.47 55.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.295 0.569 . . . . 15.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.0 m-85 -132.72 135.28 45.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.047 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.93 109.36 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.646 -0.872 . . . . 15.0 108.646 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.89 150.81 22.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.733 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.62 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.396 1.628 . . . . 15.0 115.396 -173.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -82.36 -1.78 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.644 -0.66 . . . . 15.0 109.506 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.26 55.8 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.058 -0.974 . . . . 15.0 114.07 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.047 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.6 mtmm -147.54 172.3 14.2 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 118.292 1.046 . . . . 15.0 112.886 175.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.724 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 p -99.2 140.23 33.68 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 114.425 -1.261 . . . . 15.0 112.015 -175.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -112.04 147.87 35.07 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.918 -1.141 . . . . 15.0 107.918 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 455' ' ' SER . 43.2 m-85 -108.62 124.94 51.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.194 0.521 . . . . 15.0 111.099 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 32.3 t80 -109.1 118.12 35.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.939 -1.028 . . . . 15.0 110.482 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.5 t-20 -90.15 126.45 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.352 -0.24 . . . . 15.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -81.12 0.31 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 124.06 0.85 . . . . 15.0 112.825 -172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.414 ' CZ ' HD21 ' A' ' 449' ' ' ASN . 19.8 mtm180 -91.68 -29.86 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.322 0.582 . . . . 15.0 110.445 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.2 p -130.09 -0.19 4.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.567 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.432 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 59.39 29.41 18.97 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.178 -177.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -95.5 128.99 42.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 15.0 111.215 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 1.5 m -105.98 119.91 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.449 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 4.9 t -136.19 150.28 48.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 15.0 110.575 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.4 m95 -89.55 -12.66 39.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.553 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.55 129.53 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 44.5 tttp -59.9 116.03 15.39 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 123.461 0.476 . . . . 15.0 110.908 -174.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.5 Cg_exo -59.59 157.23 32.96 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 123.748 2.965 . . . . 15.0 113.863 -172.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 22.3 tm0? -64.08 -44.27 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.535 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.445 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.4 pm0 -83.33 6.58 19.3 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.513 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 463' ' ' LEU . 27.2 tp -141.41 30.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.855 0.359 . . . . 15.0 110.643 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 6.4 ptmm? . . . . . 0 C--O 1.252 1.236 0 CA-C-O 119.173 -0.441 . . . . 15.0 110.98 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.734 -0.546 . . . . 15.0 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.49 119.35 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.452 -0.203 . . . . 15.0 110.452 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 32.6 p 50.2 30.58 4.43 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.164 0.915 . . . . 15.0 112.337 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.23 82.79 0.13 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.543 -0.753 . . . . 15.0 111.969 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.76 140.75 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.882 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.3 p -68.88 134.33 49.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.577 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.586 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 38.9 tt0 -72.46 -28.48 62.95 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.059 0.457 . . . . 15.0 110.026 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -121.95 150.39 42.1 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.238 1.018 . . . . 15.0 112.049 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.2 m -122.4 141.63 51.38 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.817 -1.538 . . . . 15.0 109.135 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.65 132.62 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.431 0.634 . . . . 15.0 111.475 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.5 m-85 -126.74 133.96 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 15.0 109.853 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.927 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.6 tppp? -90.09 121.23 31.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.297 0.57 . . . . 15.0 109.59 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 p -89.62 150.82 22.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.213 -0.903 . . . . 15.0 110.342 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.29 -14.23 0.16 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.362 1.245 . . . . 15.0 114.362 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.11 -4.04 39.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.686 0.755 . . . . 15.0 110.138 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 30.06 13.46 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.144 -0.934 . . . . 15.0 114.712 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.927 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.6 mttp -150.57 167.72 26.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 118.763 1.281 . . . . 15.0 112.57 170.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.723 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 17.8 p -95.0 140.85 29.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.645 -1.161 . . . . 15.0 112.259 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -114.98 141.02 48.55 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.747 -1.205 . . . . 15.0 107.747 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 455' ' ' SER . 55.5 m-85 -93.8 123.28 37.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.395 0.616 . . . . 15.0 111.172 -173.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -109.51 119.94 40.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.778 -1.101 . . . . 15.0 110.319 -175.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.783 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 16.3 t-20 -93.44 125.19 37.92 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.401 -0.818 . . . . 15.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -75.85 -12.86 60.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.586 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 39.4 mtm180 -68.15 -56.13 9.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.893 0.378 . . . . 15.0 110.472 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 453' ' ' GLU . 44.1 p -119.03 3.58 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 15.0 111.367 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 452' ' ' THR . 49.2 mt-10 67.54 33.01 5.33 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.5 0.5 . . . . 15.0 110.353 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.783 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.3 pt-20 -89.62 127.04 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.289 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 12.5 p -113.87 125.91 54.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.191 -0.458 . . . . 15.0 111.137 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.0 t -144.07 150.33 38.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.15 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 81.0 m95 -81.13 -1.57 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.183 0.516 . . . . 15.0 110.112 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -80.53 127.87 32.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.015 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 6.8 tttm -64.19 124.8 86.64 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.283 -0.417 . . . . 15.0 110.74 -176.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.3 Cg_exo -65.59 158.25 54.19 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.352 2.701 . . . . 15.0 113.626 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.693 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 48.7 tt0 -63.21 -39.48 94.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.091 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 434' ' ' GLU . 0.0 OUTLIER -80.09 2.45 23.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.411 -0.813 . . . . 15.0 111.621 -178.218 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.458 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 15.9 tp -134.28 18.78 3.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 15.0 109.929 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 7.2 ptmm? . . . . . 0 C--O 1.252 1.226 0 CA-C-N 116.079 -0.509 . . . . 15.0 112.137 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.708 -0.557 . . . . 15.0 111.708 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -125.68 99.98 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.962 0.411 . . . . 15.0 110.843 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.3 m -87.61 88.88 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -104.01 89.55 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.329 0.585 . . . . 15.0 110.645 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 52.2 t -120.17 104.19 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.9 p -124.69 124.87 43.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.371 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.735 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 -75.34 -24.62 57.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.95 0.405 . . . . 15.0 110.914 -174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 24.8 m95 -119.26 150.48 40.03 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.056 0.931 . . . . 15.0 112.268 -177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.6 m -130.7 141.07 50.39 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.633 -1.621 . . . . 15.0 109.148 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.11 130.99 57.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.655 0.741 . . . . 15.0 111.507 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.9 m-85 -120.87 133.38 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 15.0 109.606 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.923 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 122.25 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 15.0 109.79 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -89.94 150.67 22.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.281 -0.872 . . . . 15.0 109.859 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.75 -11.46 0.22 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.04 1.126 . . . . 15.0 114.04 -172.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.54 -1.37 30.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.296 0.569 . . . . 15.0 109.996 174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.37 26.65 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.474 -0.785 . . . . 15.0 114.895 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.923 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.1 mtmm -149.86 168.43 23.76 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 118.614 1.207 . . . . 15.0 113.846 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.656 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -100.33 144.14 29.69 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.278 -1.328 . . . . 15.0 112.736 -173.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 43.2 p90 -119.3 141.9 48.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.597 -1.183 . . . . 15.0 108.299 173.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -98.67 125.93 44.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.477 0.656 . . . . 15.0 111.386 -172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 64.9 t80 -110.32 120.44 42.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.846 -176.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.735 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.2 t-20 -90.06 126.89 35.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.45 -0.574 . . . . 15.0 109.45 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.96 -2.82 41.87 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.78 0.659 . . . . 15.0 112.78 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -91.58 -56.19 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.181 0.515 . . . . 15.0 109.822 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.0 p -88.31 -9.26 53.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.685 -0.688 . . . . 15.0 111.381 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 61.61 33.5 18.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.409 0.623 . . . . 15.0 109.735 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -93.0 130.51 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.482 -0.781 . . . . 15.0 111.179 -172.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.6 p -101.77 106.96 18.03 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.197 -0.91 . . . . 15.0 109.766 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -131.48 150.06 52.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.961 0.41 . . . . 15.0 110.577 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -88.33 1.33 54.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.42 127.1 32.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 81.2 tttt -77.15 118.37 71.48 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.202 0.525 . . . . 15.0 111.903 -171.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.6 Cg_endo -46.26 143.79 7.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.466 3.444 . . . . 15.0 113.963 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 24.3 tm0? -64.45 -40.68 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.092 -0.958 . . . . 15.0 110.909 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.7 -0.77 21.95 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.192 -0.913 . . . . 15.0 112.483 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.441 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.5 tp -139.28 17.61 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 15.0 110.77 -175.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 2.6 ptmm? . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.567 -0.73 . . . . 15.0 111.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.936 -0.465 . . . . 15.0 111.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -128.37 102.62 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.808 0.337 . . . . 15.0 110.111 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.2 m -77.54 70.05 3.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.381 0.61 . . . . 15.0 110.33 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -115.18 109.73 18.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.845 -0.616 . . . . 15.0 110.575 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.1 p -85.92 106.17 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.564 0.697 . . . . 15.0 110.069 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.6 p -91.15 131.59 36.6 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.452 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 10.6 tp10 -73.0 -17.91 61.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 15.0 110.042 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -101.39 150.24 23.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.971 0.891 . . . . 15.0 111.641 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.2 m -127.65 140.12 52.29 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.877 -1.51 . . . . 15.0 109.242 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.59 130.28 56.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.73 0.776 . . . . 15.0 111.581 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 445' ' ' THR . 96.4 m-85 -123.69 136.36 54.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.724 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 1.046 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -89.87 116.71 28.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.272 -0.64 . . . . 15.0 109.272 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.66 150.81 22.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.559 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.43 -24.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.361 1.245 . . . . 15.0 114.361 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -66.17 -9.83 35.49 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.382 0.61 . . . . 15.0 110.445 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.44 28.38 17.12 Favored Glycine 0 N--CA 1.437 -1.286 0 CA-C-N 115.459 -0.791 . . . . 15.0 114.106 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 1.046 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.3 mtmm -153.01 172.3 17.05 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.517 1.158 . . . . 15.0 112.488 168.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.713 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -98.26 143.09 29.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.307 -1.315 . . . . 15.0 112.892 -173.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -123.93 145.72 48.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.531 -1.213 . . . . 15.0 107.991 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.526 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 55.9 m-85 -100.07 128.68 46.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.402 0.62 . . . . 15.0 111.416 -172.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -117.87 123.06 44.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.125 -0.943 . . . . 15.0 111.041 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.685 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.0 t-20 -90.25 126.73 35.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.79 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.439 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 42.4 m-80 -77.3 -14.67 59.7 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.201 0.815 . . . . 15.0 113.201 -171.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.452 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 42.7 mtm-85 -81.64 -63.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.228 0.537 . . . . 15.0 110.728 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.8 p -86.49 -5.23 59.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.453 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 62.61 35.33 14.39 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.7 pt-20 -97.22 129.68 44.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.878 -173.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.9 p -113.7 119.64 38.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -141.41 150.31 42.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 15.0 110.463 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.35 -6.75 58.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.986 0.422 . . . . 15.0 110.721 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -76.78 138.04 39.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.84 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.459 ' NZ ' ' HB2' ' A' ' 459' ' ' LYS . 3.6 ttmp? -69.78 129.78 90.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.563 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.526 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 25.2 Cg_exo -61.85 147.86 94.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.008 2.472 . . . . 15.0 112.533 -176.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 7.4 tt0 -62.73 -23.84 67.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.572 -0.74 . . . . 15.0 111.212 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -100.01 4.18 44.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.728 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.7 tp -123.06 2.02 9.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.235 0.54 . . . . 15.0 110.238 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.485 -0.78 . . . . 15.0 111.048 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.772 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 24.0 tt0 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 112.115 0.413 . . . . 15.0 112.115 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -113.11 150.41 32.18 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.684 0.754 . . . . 15.0 111.377 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.0 m -133.18 133.18 42.47 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.032 -1.44 . . . . 15.0 109.644 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.607 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -115.85 139.62 50.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.768 0.794 . . . . 15.0 112.033 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.5 m-85 -126.98 138.79 53.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.856 -1.066 . . . . 15.0 108.888 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.3 tppp? -90.03 115.65 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 15.0 109.258 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.87 150.71 22.1 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.041 -0.981 . . . . 15.0 110.493 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.45 -8.16 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.72 1.007 . . . . 15.0 113.72 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.48 -5.06 37.64 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.679 0.752 . . . . 15.0 109.466 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 17.2 53.82 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 114.683 -1.144 . . . . 15.0 114.072 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.99 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.0 mtmm -152.08 173.84 14.43 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.858 1.329 . . . . 15.0 113.469 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.703 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 5.9 p -98.21 140.91 31.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 114.202 -1.363 . . . . 15.0 112.532 -175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 32.0 p90 -117.9 141.6 48.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 15.0 108.951 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.607 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.6 m-85 -98.34 126.8 43.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 15.0 111.534 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 83.5 t80 -114.34 123.11 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 15.0 110.643 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.4 t-20 -92.08 126.93 37.36 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -81.25 -7.61 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.902 0.751 . . . . 15.0 112.929 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.447 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.0 mtm105 -91.62 -50.68 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 15.0 110.677 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.9 p -88.93 -12.63 41.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.841 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 66.4 34.38 6.31 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.511 0.507 . . . . 15.0 110.188 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.0 pt-20 -105.52 139.71 39.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.971 0.415 . . . . 15.0 111.146 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 5.8 p -119.29 113.94 21.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.567 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.2 t -134.0 150.21 51.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.488 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.414 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 90.1 m95 -84.74 -3.3 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.894 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -83.68 134.47 34.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.213 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 83.5 tttt -64.25 125.29 87.94 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.832 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.5 Cg_exo -61.96 156.16 50.94 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 C-N-CA 123.532 2.821 . . . . 15.0 113.354 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.14 -35.54 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.934 0.874 . . . . 15.0 109.979 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' A' ' 462' ' ' GLU . 1.8 pm0 -87.21 8.87 22.07 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.778 -1.101 . . . . 15.0 111.444 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.44 0.638 . . . . 15.0 110.112 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--O 1.236 0.382 0 CA-C-O 120.622 0.249 . . . . 15.0 111.435 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 53.2 m95 -125.99 150.39 48.09 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.932 0.872 . . . . 15.0 111.599 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.9 m -135.98 136.02 40.01 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 113.696 -1.593 . . . . 15.0 109.215 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -113.35 137.96 50.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.569 0.7 . . . . 15.0 111.689 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -129.62 138.22 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.983 -1.008 . . . . 15.0 109.384 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.026 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.8 tppt? -91.05 120.93 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.69 150.63 22.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.46 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.11 -20.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.347 1.24 . . . . 15.0 114.347 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.41 -3.76 29.37 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.644 0.735 . . . . 15.0 110.056 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 27.56 20.37 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.08 -0.963 . . . . 15.0 114.684 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.026 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.2 mtmm -151.46 169.65 21.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.821 1.311 . . . . 15.0 113.263 170.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.732 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -99.8 145.57 27.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 114.417 -1.265 . . . . 15.0 112.497 -173.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -125.06 146.27 49.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.069 -0.969 . . . . 15.0 108.785 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 48.9 m-85 -97.18 125.7 41.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.561 0.696 . . . . 15.0 111.415 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -113.56 121.71 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.117 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.6 t-20 -90.95 126.84 36.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.283 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.45 -4.94 58.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.488 0.551 . . . . 15.0 112.488 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -79.52 -57.45 3.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.609 0.718 . . . . 15.0 109.376 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -99.15 -8.51 25.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.224 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 64.08 38.85 8.18 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.554 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -97.57 136.07 38.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.776 -177.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.7 p -109.73 121.37 45.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.472 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.6 t -139.56 150.18 44.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.892 0.377 . . . . 15.0 110.793 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -87.43 -1.69 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.106 0.479 . . . . 15.0 110.26 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.26 147.31 31.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 15.0 109.821 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.496 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 13.0 ttmm -89.1 115.55 63.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.941 0.401 . . . . 15.0 111.049 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.2 Cg_endo -54.04 149.41 35.25 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 124.065 3.177 . . . . 15.0 113.316 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.99 -33.84 76.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.316 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.76 -40.64 95.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.93 -1.032 . . . . 15.0 111.879 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.488 0.661 . . . . 15.0 110.567 -171.299 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.71 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 16.8 tt0 . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 121.443 0.64 . . . . 15.0 109.577 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 460' ' ' PRO . 28.6 m95 -106.68 150.11 26.58 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-O 121.946 0.879 . . . . 15.0 110.731 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 95.1 m -122.98 137.01 55.07 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.162 -1.381 . . . . 15.0 109.191 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.77 132.79 56.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.654 0.74 . . . . 15.0 111.528 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.7 m-85 -125.43 133.19 52.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.117 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.956 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 2.7 tppp? -90.1 114.61 26.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.57 150.9 22.21 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.65 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.78 -17.64 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.095 1.146 . . . . 15.0 114.095 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -0.34 14.39 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.327 0.584 . . . . 15.0 110.445 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 24.06 29.92 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.09 -0.959 . . . . 15.0 114.994 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.956 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 11.2 mttp -154.19 173.42 16.13 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.998 1.399 . . . . 15.0 112.522 173.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -96.99 145.16 26.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.455 -1.248 . . . . 15.0 111.717 -177.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -119.76 139.14 52.76 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.167 -1.049 . . . . 15.0 108.167 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.632 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 26.0 m-85 -96.32 129.56 43.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 15.0 111.266 -172.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 59.3 t80 -120.93 124.39 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.784 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.71 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.4 t-20 -89.74 125.66 35.37 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -77.13 -15.41 59.56 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -98.4 -24.57 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.276 -0.57 . . . . 15.0 111.989 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 28.5 p -107.8 -10.17 15.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.614 0.245 . . . . 15.0 111.051 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 65.96 27.87 10.69 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.942 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.609 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.1 pt-20 -98.02 127.22 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.146 -0.621 . . . . 15.0 111.23 -173.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.4 p -111.69 115.88 29.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.4 t -146.14 150.37 35.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.459 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 85.2 m95 -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.943 0.402 . . . . 15.0 110.775 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.52 137.57 38.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.748 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.486 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 51.4 tttp -66.76 128.69 93.97 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.119 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.632 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 18.9 Cg_exo -66.22 153.57 77.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.229 2.619 . . . . 15.0 113.304 -175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -68.94 -34.23 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.84 . . . . 15.0 111.188 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -91.47 -0.91 57.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.591 -0.731 . . . . 15.0 111.427 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.013 -0.539 . . . . 15.0 109.794 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.57 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 11.5 tp10 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 121.247 0.546 . . . . 15.0 111.173 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 34.0 m95 -111.67 150.13 30.59 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 121.846 0.831 . . . . 15.0 110.617 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.6 m -123.36 127.62 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.895 -1.502 . . . . 15.0 109.203 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -104.38 124.21 48.8 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.707 0.765 . . . . 15.0 111.025 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.7 m-85 -112.43 130.87 55.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.368 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.959 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 9.4 tppt? -90.05 119.84 30.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.947 -0.76 . . . . 15.0 108.947 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.58 150.91 22.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.537 -174.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.08 -21.89 0.05 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.078 1.14 . . . . 15.0 114.078 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.88 -8.66 55.7 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.437 0.637 . . . . 15.0 110.185 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.28 12.42 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 115.467 0.947 . . . . 15.0 115.467 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.959 ' HA ' ' HD2' ' A' ' 439' ' ' LYS 0.257 14.6 mttp -147.9 174.72 11.59 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 119.202 1.501 . . . . 15.0 112.503 165.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -102.73 148.21 25.88 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.787 -1.551 . . . . 15.0 112.46 -173.566 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.96 144.85 50.4 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 48.7 m-85 -97.83 127.22 43.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.089 0.471 . . . . 15.0 112.066 -170.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.5 t80 -110.41 122.64 48.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.59 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.57 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.4 t-20 -93.25 137.04 32.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.407 -0.36 . . . . 15.0 110.4 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.73 10.14 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 15.0 112.464 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.537 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 30.2 mtm-85 -102.49 -31.63 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 15.0 110.519 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -117.84 -6.03 11.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.846 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.38 47.92 15.69 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.326 0.391 . . . . 15.0 110.52 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -116.84 145.93 43.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.062 0.458 . . . . 15.0 111.266 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 34.2 p -117.91 123.3 45.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.613 -0.722 . . . . 15.0 110.149 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.9 t -131.62 150.08 52.27 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -93.67 -6.45 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.371 . . . . 15.0 110.93 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -89.39 133.79 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 15.0 109.941 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.5 tttm -67.49 119.78 68.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 15.0 109.809 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.421 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 17.2 Cg_exo -68.11 146.78 71.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 123.04 2.493 . . . . 15.0 112.743 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 122.075 0.94 . . . . 15.0 109.44 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.8 -17.0 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.719 -1.582 . . . . 15.0 111.613 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.5 tp . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.383 0.611 . . . . 15.0 110.338 -177.141 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.755 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.6 tt0 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.237 0.541 . . . . 15.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 42.0 m95 -113.62 150.14 33.56 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.734 0.778 . . . . 15.0 110.523 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 64.8 m -126.84 134.71 50.47 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.058 -1.428 . . . . 15.0 109.756 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -112.95 130.34 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.428 0.633 . . . . 15.0 111.12 179.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.0 m-85 -118.84 131.56 56.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -90.25 114.78 26.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.61 150.65 22.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.854 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.25 -18.64 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.443 1.275 . . . . 15.0 114.443 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.14 -2.16 23.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.409 0.623 . . . . 15.0 110.371 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 26.89 22.14 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.203 -0.908 . . . . 15.0 114.802 172.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.0 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -153.65 169.24 23.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.705 1.253 . . . . 15.0 113.103 171.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -98.21 148.4 23.63 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 114.501 -1.227 . . . . 15.0 112.367 -177.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.8 p90 -126.01 148.79 49.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.985 -1.007 . . . . 15.0 108.432 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 69.8 m-85 -105.09 126.33 51.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 15.0 111.815 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 69.2 t80 -114.15 124.43 52.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.737 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.755 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.24 134.6 34.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -90.48 -1.19 57.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.996 0.739 . . . . 15.0 112.996 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.485 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.5 mtm180 -100.49 -45.34 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.871 -0.518 . . . . 15.0 111.413 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.4 p -91.23 -17.41 26.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.826 0.346 . . . . 15.0 110.454 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.15 64.69 0.95 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.323 -0.853 . . . . 15.0 110.423 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 15.5 pt-20 -135.31 141.91 45.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.432 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.1 p -119.04 113.2 20.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.165 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.2 t -133.17 150.55 52.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.245 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 82.5 m95 -87.53 -3.3 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.367 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -81.67 136.68 35.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.963 -0.755 . . . . 15.0 108.963 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 39.5 tttm -72.22 115.29 37.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.866 0.365 . . . . 15.0 111.009 -172.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 435' ' ' TRP . 5.0 Cg_exo -42.95 134.05 5.63 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 124.41 3.407 . . . . 15.0 113.709 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.4 -44.76 76.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.969 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -68.61 -4.52 15.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.843 -1.072 . . . . 15.0 111.952 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 15.0 110.019 -171.161 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.785 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 11.7 tt0 . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.361 0.601 . . . . 15.0 110.367 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.4 ' CZ3' HG22 ' A' ' 456' ' ' THR . 33.8 m95 -109.95 150.06 29.02 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.934 0.873 . . . . 15.0 110.732 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.9 m -122.94 134.06 54.36 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 113.932 -1.486 . . . . 15.0 109.379 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 132.59 54.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.638 0.733 . . . . 15.0 111.512 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 445' ' ' THR . 83.3 m-85 -128.59 135.06 48.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.362 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.077 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.7 tppp? -89.81 114.53 26.27 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.972 -0.751 . . . . 15.0 108.972 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.79 150.95 22.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.805 -1.088 . . . . 15.0 110.808 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.46 -16.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.23 1.196 . . . . 15.0 114.23 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -73.53 -1.67 19.54 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.83 -0.544 . . . . 15.0 110.369 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 22.08 35.6 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.468 -0.787 . . . . 15.0 114.7 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.077 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -153.94 172.96 16.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.745 1.272 . . . . 15.0 112.854 172.192 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.747 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -95.86 143.09 27.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 114.414 -1.266 . . . . 15.0 112.283 -176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 31.9 p90 -115.95 148.56 39.95 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.927 -1.138 . . . . 15.0 107.927 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 41.1 m-85 -106.71 118.75 37.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 15.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.4 t80 -107.88 126.31 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.576 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.785 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.3 t-20 -89.81 133.45 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -81.66 -24.32 36.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -171.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.3 mtm180 -84.85 -55.82 3.89 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 15.0 111.469 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.1 p -76.4 -24.51 54.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.163 0.506 . . . . 15.0 110.151 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 34.2 mt-10 61.92 75.32 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.724 -1.125 . . . . 15.0 110.61 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.9 pt-20 -145.42 145.96 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.754 -1.112 . . . . 15.0 110.426 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.6 m -111.04 113.06 25.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.792 0.329 . . . . 15.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.4 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.8 t -120.72 150.14 41.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.952 0.406 . . . . 15.0 110.527 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.71 6.93 47.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 15.0 110.42 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -95.13 135.51 36.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.747 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 29.5 tttm -60.52 120.81 55.64 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.61 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.9 Cg_exo -63.2 154.94 64.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.305 2.67 . . . . 15.0 113.204 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -64.82 -33.94 77.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.769 . . . . 15.0 111.395 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -93.5 3.57 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.317 -179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 24.6 tp . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.722 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.756 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.864 0.364 . . . . 15.0 111.513 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.477 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 30.4 m95 -110.58 150.07 29.47 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.45 0.643 . . . . 15.0 110.267 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -120.39 131.21 54.71 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.334 -1.303 . . . . 15.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -115.03 131.8 56.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.751 0.786 . . . . 15.0 111.625 -176.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.7 m-85 -128.9 135.56 49.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 15.0 109.08 175.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.965 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.1 tppp? -89.8 115.79 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.038 -0.727 . . . . 15.0 109.038 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.92 150.76 22.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.858 -1.065 . . . . 15.0 110.388 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.78 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.475 1.287 . . . . 15.0 114.475 -174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.96 -0.55 21.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.502 0.668 . . . . 15.0 110.137 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 27.83 19.57 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.28 -0.873 . . . . 15.0 114.585 171.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.965 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 21.9 mttp -153.69 167.46 29.51 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.542 1.171 . . . . 15.0 113.245 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 29.7 p -96.29 140.87 30.34 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.704 -1.135 . . . . 15.0 112.034 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -112.52 144.33 42.16 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.264 -1.013 . . . . 15.0 108.264 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -106.04 119.27 38.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 15.0 111.294 -173.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 71.9 t80 -106.82 121.52 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.2 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.756 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.3 t-20 -90.08 124.85 35.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.754 -0.461 . . . . 15.0 109.754 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -83.68 8.41 14.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.674 -0.694 . . . . 15.0 112.627 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 41.7 mtm105 -111.17 -18.26 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.996 -0.44 . . . . 15.0 111.423 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -123.96 -3.98 8.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.481 -0.327 . . . . 15.0 111.236 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 60.99 33.07 19.89 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.2 pt-20 -104.23 129.17 52.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.486 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.3 m -103.01 111.05 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.024 -0.535 . . . . 15.0 109.705 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -119.13 150.05 40.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.919 0.39 . . . . 15.0 110.781 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.9 m95 -94.64 5.19 52.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.477 174.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.4 131.45 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 15.0 109.376 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 82.5 tttt -68.83 124.3 89.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.0 Cg_exo -64.6 145.96 88.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.794 2.329 . . . . 15.0 112.168 -176.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -70.83 -27.11 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.152 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.42 -2.72 36.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.939 -1.028 . . . . 15.0 111.416 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.899 0.38 . . . . 15.0 110.749 -176.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.508 ' HG2' ' NH1' ' A' ' 451' ' ' ARG . 7.2 tp10 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 121.001 0.429 . . . . 15.0 110.743 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.08 150.29 29.59 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.619 0.723 . . . . 15.0 111.045 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.3 m -123.98 135.62 53.77 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.288 -1.324 . . . . 15.0 109.272 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -108.82 134.82 51.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.421 0.629 . . . . 15.0 111.149 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 68.5 m-85 -122.6 134.88 54.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.16 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.97 116.89 28.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.263 0.554 . . . . 15.0 109.738 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.9 p -89.73 150.83 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.814 -1.084 . . . . 15.0 110.599 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.84 -21.83 0.07 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.364 1.246 . . . . 15.0 114.364 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.74 -2.19 13.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.523 0.678 . . . . 15.0 110.494 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.41 22.83 33.3 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.267 -0.879 . . . . 15.0 114.497 171.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.987 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.4 mtmm -151.11 172.38 15.87 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.73 1.265 . . . . 15.0 112.481 171.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 p -94.72 141.13 28.98 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.862 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 11.5 p90 -116.81 148.33 41.31 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 173.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 455' ' ' SER . 76.9 m-85 -104.11 127.07 51.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.31 0.576 . . . . 15.0 112.159 -169.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.459 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 87.3 t80 -113.92 125.37 53.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.67 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.79 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.1 t-20 -102.72 131.09 49.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.984 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -84.21 -0.82 53.69 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.012 0.745 . . . . 15.0 113.012 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 21.6 mtm180 -86.13 -33.64 20.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.013 0.435 . . . . 15.0 110.678 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.4 p -132.53 -1.52 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.256 -171.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.459 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 2.1 mp0 64.19 31.3 13.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.555 -174.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.9 pt-20 -89.94 133.03 35.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.056 0.455 . . . . 15.0 110.771 -173.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 26.1 p -118.43 117.72 29.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.989 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.7 t -132.83 150.3 52.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.482 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.473 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 89.1 m95 -86.92 -1.04 57.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.431 -0.35 . . . . 15.0 111.617 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.75 145.2 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.686 -0.487 . . . . 15.0 109.686 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 33.2 tttm -67.77 123.97 88.24 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.181 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.546 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 55.7 Cg_exo -55.78 152.33 35.73 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.784 2.989 . . . . 15.0 113.681 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.89 -38.71 91.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.627 . . . . 15.0 110.774 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -97.05 7.21 47.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.502 -0.772 . . . . 15.0 112.094 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 26.3 tp . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.29 0.567 . . . . 15.0 110.408 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.889 ' HG2' ' HG3' ' A' ' 451' ' ' ARG . 8.5 tp10 . . . . . 0 CA--C 1.517 -0.318 0 CA-C-O 121.512 0.672 . . . . 15.0 110.214 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 30.8 m95 -94.77 150.13 20.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.979 0.895 . . . . 15.0 111.344 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.7 m -124.77 143.55 50.73 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.969 -1.469 . . . . 15.0 109.485 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -114.08 131.53 56.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.569 0.7 . . . . 15.0 111.354 -178.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.5 m-85 -125.15 132.82 53.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 15.0 109.331 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.063 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.4 tppp? -89.91 113.56 25.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.56 150.87 22.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.307 -0.861 . . . . 15.0 110.575 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.84 0.1 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.106 1.151 . . . . 15.0 114.106 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.27 -1.7 4.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.218 0.532 . . . . 15.0 110.749 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 17.02 54.33 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.392 -0.822 . . . . 15.0 114.844 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.063 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -149.65 172.15 15.51 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.971 1.385 . . . . 15.0 113.044 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.777 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -97.74 143.82 27.99 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.386 -1.279 . . . . 15.0 112.474 -174.024 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -125.16 147.32 49.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.682 -1.145 . . . . 15.0 107.972 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 64.7 m-85 -103.03 124.48 48.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 15.0 111.549 -172.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -109.58 122.73 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.003 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.8 t-20 -91.14 126.69 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.479 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.443 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 54.2 m-80 -79.68 -16.18 56.18 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.82 0.674 . . . . 15.0 112.82 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.889 ' HG3' ' HG2' ' A' ' 434' ' ' GLU . 50.0 mtm-85 -73.01 -55.96 5.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.2 0.524 . . . . 15.0 110.538 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.6 p -102.32 -2.98 27.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.434 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 62.6 38.04 12.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.115 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.69 130.04 53.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.764 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -111.93 121.99 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.4 -0.364 . . . . 15.0 111.107 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.9 t -139.45 150.41 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.13 -6.78 52.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.056 0.455 . . . . 15.0 110.936 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.39 122.59 32.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.377 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.49 128.42 92.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 111.279 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.444 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 52.7 Cg_endo -68.23 159.72 51.99 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.492 2.794 . . . . 15.0 113.653 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -62.04 -33.29 74.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.823 -1.081 . . . . 15.0 111.246 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.88 1.07 18.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.291 -0.868 . . . . 15.0 111.851 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.883 0.373 . . . . 15.0 110.381 -179.033 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.906 0.384 . . . . 15.0 111.653 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -101.43 150.35 23.13 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.822 0.82 . . . . 15.0 110.866 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.5 m -124.46 142.36 51.37 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.017 -1.447 . . . . 15.0 109.103 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.38 131.51 54.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.642 0.734 . . . . 15.0 111.566 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.9 m-85 -130.78 134.94 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.513 -0.767 . . . . 15.0 109.437 175.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.951 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.2 tppp? -91.24 117.89 30.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.8 150.88 22.06 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.463 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.16 -18.3 0.05 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.6 1.333 . . . . 15.0 114.6 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.43 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 7.3 p-10 -75.27 -1.23 22.57 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.347 0.594 . . . . 15.0 110.173 175.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 28.39 18.0 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.313 -0.858 . . . . 15.0 115.018 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.951 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmt -152.4 166.3 32.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.182 0.991 . . . . 15.0 113.441 171.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.693 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 16.1 p -97.03 139.63 32.75 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.449 -1.251 . . . . 15.0 111.806 -176.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -114.13 141.03 48.01 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.28 -1.007 . . . . 15.0 108.28 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 39.0 m-85 -98.2 119.27 36.57 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.241 0.543 . . . . 15.0 111.028 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 57.9 t80 -106.62 122.52 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.091 -0.958 . . . . 15.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.666 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.4 t-20 -97.01 130.67 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.394 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.47 -2.12 55.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 15.0 112.617 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.48 -26.63 20.83 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.51 . . . . 15.0 110.351 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 13.1 p -132.15 -1.51 3.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.871 -170.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 58.26 27.72 15.59 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.835 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.8 pt-20 -93.64 146.64 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.626 -0.429 . . . . 15.0 110.978 -171.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 m -123.43 114.64 20.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.78 0.324 . . . . 15.0 110.715 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -124.93 150.18 46.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.175 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.601 ' CZ3' ' HE3' ' A' ' 444' ' ' LYS . 91.8 m95 -94.7 4.65 53.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.191 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -98.11 149.1 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 26.8 tttm -71.04 116.2 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.593 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 36.5 Cg_exo -62.12 153.91 66.18 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.5 2.8 . . . . 15.0 113.286 -175.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -35.26 78.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.823 -178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.31 1.36 57.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.449 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 25.9 tp . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 121.308 0.575 . . . . 15.0 109.726 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.657 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 21.9 tt0 . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.887 0.375 . . . . 15.0 110.961 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -112.56 150.16 31.72 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.927 0.87 . . . . 15.0 111.227 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 55.5 m -130.69 132.72 45.56 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 113.453 -1.703 . . . . 15.0 109.187 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.0 OUTLIER -117.85 130.59 56.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.833 0.825 . . . . 15.0 111.124 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.7 m-85 -123.36 143.87 49.83 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.966 -1.015 . . . . 15.0 109.208 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.055 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.7 120.19 30.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 178.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.76 150.75 22.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.91 -1.041 . . . . 15.0 110.348 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.35 -18.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.791 1.034 . . . . 15.0 113.791 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.05 -7.04 37.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.692 0.758 . . . . 15.0 110.011 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.25 40.88 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 114.904 -1.044 . . . . 15.0 114.747 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.055 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.2 mtmm -148.31 174.55 11.91 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.015 1.407 . . . . 15.0 112.464 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.624 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 2.1 p -96.44 143.75 27.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 114.541 -1.209 . . . . 15.0 112.948 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 46.2 p90 -117.48 149.95 39.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.618 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 77.1 m-85 -101.15 126.08 47.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 15.0 111.495 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 48.2 t80 -115.03 121.77 44.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.848 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.657 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.47 129.72 36.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.203 -0.666 . . . . 15.0 109.203 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -79.99 -13.93 58.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.51 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 35.0 mtm105 -82.08 -55.06 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.913 -0.492 . . . . 15.0 110.67 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -86.49 -11.18 52.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.457 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.49 31.29 14.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.396 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.3 pt-20 -97.54 139.94 32.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.928 -173.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.2 m -115.56 120.78 40.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.031 -0.531 . . . . 15.0 109.719 176.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -139.34 150.2 45.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.622 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -87.53 -1.93 58.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.341 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.64 128.9 33.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.246 -0.65 . . . . 15.0 109.246 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.7 tttm -75.17 118.58 71.66 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.06 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.518 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.1 Cg_endo -44.4 150.38 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.585 3.524 . . . . 15.0 113.323 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.07 -31.67 30.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.754 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.7 pm0 -74.68 -14.8 60.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.68 -1.146 . . . . 15.0 110.72 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.741 0.781 . . . . 15.0 109.711 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.604 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 39.9 tt0 . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.744 0.307 . . . . 15.0 110.81 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -120.01 150.41 40.59 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.999 0.904 . . . . 15.0 112.046 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.9 m -121.83 133.12 54.89 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 113.704 -1.589 . . . . 15.0 108.973 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.28 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.378 0.608 . . . . 15.0 111.564 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 445' ' ' THR . 69.0 m-85 -132.75 136.56 46.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.265 176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.052 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.1 tppt? -89.94 116.36 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.74 150.75 22.16 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.713 -1.131 . . . . 15.0 110.091 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.69 -12.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.852 1.056 . . . . 15.0 113.852 -176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -70.04 -6.74 35.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.319 0.58 . . . . 15.0 109.972 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.33 16.01 56.22 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.098 -0.956 . . . . 15.0 114.145 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.052 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.7 mttp -146.76 177.1 9.36 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.53 1.165 . . . . 15.0 112.437 172.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.668 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -102.0 144.97 29.95 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.569 -1.651 . . . . 15.0 112.915 -173.132 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -125.85 149.19 48.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.589 -1.263 . . . . 15.0 107.589 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.439 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 67.9 m-85 -107.81 127.35 53.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.449 0.643 . . . . 15.0 111.822 -170.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.514 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 57.4 t80 -105.04 117.83 34.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.705 -1.134 . . . . 15.0 110.396 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.656 ' HB3' ' CG ' ' A' ' 454' ' ' GLU . 15.4 t-20 -91.16 124.96 35.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.749 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -81.25 5.64 16.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.483 -0.78 . . . . 15.0 113.066 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.604 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 19.5 mtm180 -83.53 -60.43 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 15.0 109.751 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 54.4 p -113.07 5.46 17.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.895 -1.048 . . . . 15.0 110.735 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.514 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 63.67 36.89 10.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.333 -174.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.656 ' CG ' ' HB3' ' A' ' 449' ' ' ASN . 11.8 pt-20 -90.09 121.05 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.619 . . . . 15.0 109.988 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -109.12 119.87 40.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.643 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -141.97 150.23 41.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 15.0 110.756 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 93.3 m95 -77.87 -5.04 49.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.339 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -71.22 124.57 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 15.0 110.02 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 79.0 tttt -60.47 130.25 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.393 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.439 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 10.4 Cg_exo -69.03 153.24 72.61 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.967 2.445 . . . . 15.0 113.206 -172.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.85 -32.58 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.128 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -94.56 5.95 50.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.904 -177.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.408 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 20.2 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 15.0 110.468 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 450' ' ' ASN . 11.4 tp10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.551 0.691 . . . . 15.0 110.224 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 56.8 m95 -105.52 150.39 25.38 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.29 -0.868 . . . . 15.0 110.924 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.7 m -130.11 137.95 50.44 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.408 -1.269 . . . . 15.0 109.54 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -114.82 129.74 56.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.546 0.688 . . . . 15.0 111.656 -175.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 73.0 m-85 -125.19 135.06 52.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.562 -0.744 . . . . 15.0 109.67 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.024 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.75 111.32 22.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.2 p -89.87 150.78 22.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.137 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.72 -14.69 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.255 1.206 . . . . 15.0 114.255 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.85 4.69 11.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.51 0.672 . . . . 15.0 110.387 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 11.45 62.81 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 115.837 1.095 . . . . 15.0 115.837 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.024 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -150.56 177.65 9.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.87 1.835 . . . . 15.0 113.555 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.2 p -97.6 141.56 30.49 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 113.3 -1.773 . . . . 15.0 112.428 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 26.3 p90 -121.93 145.52 48.02 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.483 -0.932 . . . . 15.0 108.483 175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -95.73 121.86 37.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.964 0.411 . . . . 15.0 110.609 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -107.01 123.05 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.367 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.48 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.3 t-20 -98.56 130.28 45.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.011 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.478 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 55.5 m-80 -80.56 -15.58 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.814 0.672 . . . . 15.0 112.814 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 -57.19 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.413 0.625 . . . . 15.0 110.089 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -95.83 -6.54 39.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.429 -0.805 . . . . 15.0 111.465 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.55 35.35 22.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.42 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -99.05 150.05 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.691 -173.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 8.7 m -122.84 116.83 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.152 178.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.0 t -130.85 150.26 52.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 15.0 110.697 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 82.8 m95 -91.92 6.17 47.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.464 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.85 145.36 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.073 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 69.3 tttt -68.86 126.26 92.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.823 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 31.8 Cg_exo -60.39 147.44 94.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.275 2.65 . . . . 15.0 112.411 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.17 -23.96 60.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 15.0 110.14 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.434 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.5 pm0 -81.33 -2.28 48.53 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.828 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.55 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.7 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.883 0.373 . . . . 15.0 110.437 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.585 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 16.3 tp10 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 121.678 0.751 . . . . 15.0 109.607 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.498 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 49.6 m95 -106.92 143.72 34.6 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.399 -0.818 . . . . 15.0 110.382 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -109.08 138.78 44.9 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.087 -1.415 . . . . 15.0 109.001 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.54 125.57 53.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.682 0.753 . . . . 15.0 110.552 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.6 m-85 -113.89 128.91 56.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.182 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.997 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -90.03 115.09 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 15.0 109.215 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.76 150.94 22.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.652 -1.158 . . . . 15.0 110.78 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -36.36 -32.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.454 1.279 . . . . 15.0 114.454 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.33 -5.65 11.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.89 0.376 . . . . 15.0 111.372 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 27.45 20.59 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 119.477 -0.624 . . . . 15.0 114.594 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.997 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -152.12 173.04 15.42 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.352 1.076 . . . . 15.0 112.066 168.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.658 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 15.0 p -98.08 142.76 29.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.461 -1.245 . . . . 15.0 113.03 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -117.23 147.02 42.89 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.013 -1.106 . . . . 15.0 108.013 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 32.0 m-85 -101.46 133.52 45.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.403 0.621 . . . . 15.0 111.768 -169.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -121.18 121.95 38.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.265 -0.88 . . . . 15.0 110.992 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.585 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.07 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.932 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.06 -29.41 39.18 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.576 0.547 . . . . 15.0 112.394 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.52 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 26.3 mtm180 -61.9 -61.93 2.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.122 0.487 . . . . 15.0 111.125 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 8.5 p -93.45 -4.72 50.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.95 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 62.92 32.07 15.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.998 0.427 . . . . 15.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.2 pt-20 -97.14 133.63 41.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.09 0.472 . . . . 15.0 110.821 -174.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.6 p -114.24 120.59 40.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.907 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.1 t -141.41 150.14 41.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.95 0.405 . . . . 15.0 110.48 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -83.45 -1.83 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.891 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.08 145.8 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.088 -0.506 . . . . 15.0 110.677 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.9 tttm -64.98 126.1 90.51 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.635 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_exo -60.96 150.61 83.07 Favored 'Trans proline' 0 N--CA 1.476 0.471 0 C-N-CA 123.541 2.827 . . . . 15.0 113.288 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.05 -40.55 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.754 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.498 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.6 pm0 -79.98 2.28 24.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.154 178.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 22.4 tp . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.07 0.462 . . . . 15.0 110.097 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.719 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.8 tt0 . . . . . 0 N--CA 1.447 -0.625 0 CA-C-O 121.167 0.508 . . . . 15.0 110.645 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 31.7 m95 -119.79 150.24 40.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 122.114 0.959 . . . . 15.0 111.757 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.8 m -131.28 148.39 52.68 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.625 -1.625 . . . . 15.0 109.067 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.31 140.88 52.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.387 0.613 . . . . 15.0 111.083 -178.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 81.8 m-85 -136.81 138.78 41.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.011 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.002 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.95 116.41 27.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.723 0.773 . . . . 15.0 109.578 -178.261 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.78 150.83 22.1 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.312 -1.313 . . . . 15.0 110.309 -177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.23 -1.47 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.0 -5.55 49.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.59 0.71 . . . . 15.0 109.184 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 19.7 44.7 Favored Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 114.855 -1.066 . . . . 15.0 113.841 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.002 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.9 mtmm -153.15 175.83 12.6 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 118.392 1.096 . . . . 15.0 112.927 171.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.621 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 13.2 p -99.46 140.87 33.0 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 114.478 -1.237 . . . . 15.0 112.178 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -110.98 146.57 36.42 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.268 -0.878 . . . . 15.0 108.648 175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -100.67 124.07 45.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.256 0.55 . . . . 15.0 110.967 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 78.3 t80 -113.71 125.41 54.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.985 -1.007 . . . . 15.0 110.871 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.719 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.2 t-20 -92.8 129.37 38.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.554 -0.536 . . . . 15.0 109.554 177.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.41 -24.2 50.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 -172.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.464 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.8 mtm105 -76.72 -46.05 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.564 -0.454 . . . . 15.0 111.383 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.5 p -94.92 -14.04 24.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.836 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.22 36.24 12.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.945 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.3 pt-20 -102.54 150.05 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.75 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 m -124.33 123.71 40.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.992 0.425 . . . . 15.0 110.65 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.9 t -136.15 150.12 48.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.305 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.428 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.0 m95 -90.52 4.43 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 15.0 111.115 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.56 139.17 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.049 -0.722 . . . . 15.0 109.049 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 23.4 ttmm -75.74 116.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.402 -0.363 . . . . 15.0 111.203 -175.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 2.7 Cg_endo -50.48 145.53 21.76 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.653 2.902 . . . . 15.0 112.735 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 461' ' ' GLN . 6.7 tt0 -62.06 -29.86 70.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.2 -0.909 . . . . 15.0 111.439 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -82.26 -3.48 55.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.769 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 15.0 111.417 -175.831 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 451' ' ' ARG . 9.6 tp10 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.44 0.638 . . . . 15.0 110.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.506 ' NE1' ' HB3' ' A' ' 460' ' ' PRO . 43.6 m95 -102.47 150.01 23.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.734 0.778 . . . . 15.0 111.589 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -124.76 135.88 53.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.064 -1.425 . . . . 15.0 109.51 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -116.35 134.26 55.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.571 0.701 . . . . 15.0 111.599 -177.221 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 445' ' ' THR . 79.6 m-85 -127.18 138.71 53.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.3 -0.864 . . . . 15.0 108.782 174.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.988 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.0 tppt? -89.88 116.7 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.454 0.645 . . . . 15.0 109.779 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 p -89.76 151.0 22.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.766 -1.106 . . . . 15.0 110.502 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.87 0.27 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.936 1.087 . . . . 15.0 113.936 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -78.46 -6.29 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.863 -0.791 . . . . 15.0 108.863 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 15.48 57.06 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.808 -1.087 . . . . 15.0 113.65 177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.988 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -148.07 175.5 10.97 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 122.338 1.066 . . . . 15.0 113.164 173.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -99.35 143.26 29.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.61 -1.632 . . . . 15.0 111.88 -174.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.04 142.41 47.86 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 68.7 m-85 -101.1 122.92 44.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.299 0.571 . . . . 15.0 111.579 -171.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 82.2 t80 -106.39 121.97 45.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.227 -0.897 . . . . 15.0 110.242 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.15 125.25 35.38 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -78.88 -3.22 43.59 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.246 0.966 . . . . 15.0 112.687 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.503 ' CZ ' ' HG2' ' A' ' 434' ' ' GLU . 22.6 mtm180 -95.98 -56.29 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 15.0 110.531 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 p -89.66 -0.48 57.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.667 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.2 32.64 20.92 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.996 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.2 pt-20 -108.27 141.87 39.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.517 -0.473 . . . . 15.0 111.277 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -117.51 112.18 20.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.164 0.506 . . . . 15.0 110.385 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.1 t -131.56 150.15 52.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.244 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.7 m95 -84.44 -6.63 59.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.4 -0.364 . . . . 15.0 110.802 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.54 122.75 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 4.2 ttmp? -67.54 121.86 80.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 15.0 110.315 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.506 ' HB3' ' NE1' ' A' ' 435' ' ' TRP . 1.8 Cg_endo -44.81 146.59 2.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 124.111 3.207 . . . . 15.0 113.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -57.97 -33.95 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.418 0.628 . . . . 15.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.35 -1.76 25.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.836 -1.074 . . . . 15.0 111.881 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.6 tp . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 112.444 0.535 . . . . 15.0 112.444 -176.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.282 0.563 . . . . 15.0 110.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 456' ' ' THR . 35.6 m95 -109.35 139.52 44.2 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.357 177.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.6 m -101.14 145.1 29.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.497 -1.229 . . . . 15.0 109.654 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.34 135.47 55.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.295 0.569 . . . . 15.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.0 m-85 -132.72 135.28 45.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.047 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.93 109.36 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.646 -0.872 . . . . 15.0 108.646 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.89 150.81 22.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.733 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.62 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.396 1.628 . . . . 15.0 115.396 -173.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -82.36 -1.78 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.644 -0.66 . . . . 15.0 109.506 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.26 55.8 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.058 -0.974 . . . . 15.0 114.07 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.047 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.6 mtmm -147.54 172.3 14.2 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 118.292 1.046 . . . . 15.0 112.886 175.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.724 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 p -99.2 140.23 33.68 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 114.425 -1.261 . . . . 15.0 112.015 -175.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -112.04 147.87 35.07 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.918 -1.141 . . . . 15.0 107.918 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 455' ' ' SER . 43.2 m-85 -108.62 124.94 51.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.194 0.521 . . . . 15.0 111.099 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 32.3 t80 -109.1 118.12 35.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.939 -1.028 . . . . 15.0 110.482 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.5 t-20 -90.15 126.45 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.352 -0.24 . . . . 15.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -81.12 0.31 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 124.06 0.85 . . . . 15.0 112.825 -172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.414 ' CZ ' HD21 ' A' ' 449' ' ' ASN . 19.8 mtm180 -91.68 -29.86 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.322 0.582 . . . . 15.0 110.445 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.2 p -130.09 -0.19 4.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.567 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.432 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 59.39 29.41 18.97 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.178 -177.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -95.5 128.99 42.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 15.0 111.215 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 1.5 m -105.98 119.91 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.449 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 4.9 t -136.19 150.28 48.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 15.0 110.575 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.4 m95 -89.55 -12.66 39.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.553 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.55 129.53 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 44.5 tttp -59.9 116.03 15.39 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 123.461 0.476 . . . . 15.0 110.908 -174.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.5 Cg_exo -59.59 157.23 32.96 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 123.748 2.965 . . . . 15.0 113.863 -172.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.465 ' HB3' HE21 ' A' ' 461' ' ' GLN . 0.9 OUTLIER -64.08 -44.27 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.535 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.445 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.4 pm0 -83.33 6.58 19.3 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.513 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 27.2 tp . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.855 0.359 . . . . 15.0 110.643 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.586 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 38.9 tt0 . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.059 0.457 . . . . 15.0 110.026 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -121.95 150.39 42.1 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.238 1.018 . . . . 15.0 112.049 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.2 m -122.4 141.63 51.38 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.817 -1.538 . . . . 15.0 109.135 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.65 132.62 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.431 0.634 . . . . 15.0 111.475 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.5 m-85 -126.74 133.96 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 15.0 109.853 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.927 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.6 tppp? -90.09 121.23 31.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.297 0.57 . . . . 15.0 109.59 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 p -89.62 150.82 22.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.213 -0.903 . . . . 15.0 110.342 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.29 -14.23 0.16 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.362 1.245 . . . . 15.0 114.362 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.11 -4.04 39.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.686 0.755 . . . . 15.0 110.138 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 30.06 13.46 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.144 -0.934 . . . . 15.0 114.712 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.927 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.6 mttp -150.57 167.72 26.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 118.763 1.281 . . . . 15.0 112.57 170.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.723 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 17.8 p -95.0 140.85 29.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.645 -1.161 . . . . 15.0 112.259 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -114.98 141.02 48.55 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.747 -1.205 . . . . 15.0 107.747 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 455' ' ' SER . 55.5 m-85 -93.8 123.28 37.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.395 0.616 . . . . 15.0 111.172 -173.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -109.51 119.94 40.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.778 -1.101 . . . . 15.0 110.319 -175.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.783 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 16.3 t-20 -93.44 125.19 37.92 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.401 -0.818 . . . . 15.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -75.85 -12.86 60.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.586 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 39.4 mtm180 -68.15 -56.13 9.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.893 0.378 . . . . 15.0 110.472 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 453' ' ' GLU . 44.1 p -119.03 3.58 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 15.0 111.367 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 452' ' ' THR . 49.2 mt-10 67.54 33.01 5.33 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.5 0.5 . . . . 15.0 110.353 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.783 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.3 pt-20 -89.62 127.04 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.289 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 12.5 p -113.87 125.91 54.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.191 -0.458 . . . . 15.0 111.137 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.0 t -144.07 150.33 38.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.15 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 81.0 m95 -81.13 -1.57 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.183 0.516 . . . . 15.0 110.112 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -80.53 127.87 32.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.015 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 6.8 tttm -64.19 124.8 86.64 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.283 -0.417 . . . . 15.0 110.74 -176.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.3 Cg_exo -65.59 158.25 54.19 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.352 2.701 . . . . 15.0 113.626 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.21 -39.48 94.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.091 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 434' ' ' GLU . 0.0 OUTLIER -80.09 2.45 23.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.411 -0.813 . . . . 15.0 111.621 -178.218 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.458 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 15.9 tp . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 15.0 109.929 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.735 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.95 0.405 . . . . 15.0 110.914 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 24.8 m95 -119.26 150.48 40.03 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.056 0.931 . . . . 15.0 112.268 -177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.6 m -130.7 141.07 50.39 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.633 -1.621 . . . . 15.0 109.148 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.11 130.99 57.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.655 0.741 . . . . 15.0 111.507 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.9 m-85 -120.87 133.38 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 15.0 109.606 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.923 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 122.25 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 15.0 109.79 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -89.94 150.67 22.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.281 -0.872 . . . . 15.0 109.859 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.75 -11.46 0.22 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.04 1.126 . . . . 15.0 114.04 -172.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.54 -1.37 30.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.296 0.569 . . . . 15.0 109.996 174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.37 26.65 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.474 -0.785 . . . . 15.0 114.895 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.923 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.1 mtmm -149.86 168.43 23.76 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 118.614 1.207 . . . . 15.0 113.846 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.656 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -100.33 144.14 29.69 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.278 -1.328 . . . . 15.0 112.736 -173.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 43.2 p90 -119.3 141.9 48.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.597 -1.183 . . . . 15.0 108.299 173.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -98.67 125.93 44.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.477 0.656 . . . . 15.0 111.386 -172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 64.9 t80 -110.32 120.44 42.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.846 -176.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.735 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.2 t-20 -90.06 126.89 35.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.45 -0.574 . . . . 15.0 109.45 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.96 -2.82 41.87 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.78 0.659 . . . . 15.0 112.78 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -91.58 -56.19 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.181 0.515 . . . . 15.0 109.822 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.0 p -88.31 -9.26 53.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.685 -0.688 . . . . 15.0 111.381 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 61.61 33.5 18.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.409 0.623 . . . . 15.0 109.735 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -93.0 130.51 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.482 -0.781 . . . . 15.0 111.179 -172.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.6 p -101.77 106.96 18.03 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.197 -0.91 . . . . 15.0 109.766 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -131.48 150.06 52.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.961 0.41 . . . . 15.0 110.577 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -88.33 1.33 54.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.42 127.1 32.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 81.2 tttt -77.15 118.37 71.48 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.202 0.525 . . . . 15.0 111.903 -171.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.6 Cg_endo -46.26 143.79 7.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.466 3.444 . . . . 15.0 113.963 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -64.45 -40.68 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.092 -0.958 . . . . 15.0 110.909 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.7 -0.77 21.95 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.192 -0.913 . . . . 15.0 112.483 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.441 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.5 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 15.0 110.77 -175.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.452 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 10.6 tp10 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 15.0 110.042 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -101.39 150.24 23.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.971 0.891 . . . . 15.0 111.641 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.2 m -127.65 140.12 52.29 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.877 -1.51 . . . . 15.0 109.242 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.59 130.28 56.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.73 0.776 . . . . 15.0 111.581 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 445' ' ' THR . 96.4 m-85 -123.69 136.36 54.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.724 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 1.046 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -89.87 116.71 28.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.272 -0.64 . . . . 15.0 109.272 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.66 150.81 22.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.559 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.43 -24.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.361 1.245 . . . . 15.0 114.361 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -66.17 -9.83 35.49 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.382 0.61 . . . . 15.0 110.445 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.44 28.38 17.12 Favored Glycine 0 N--CA 1.437 -1.286 0 CA-C-N 115.459 -0.791 . . . . 15.0 114.106 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 1.046 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.3 mtmm -153.01 172.3 17.05 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.517 1.158 . . . . 15.0 112.488 168.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.713 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -98.26 143.09 29.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.307 -1.315 . . . . 15.0 112.892 -173.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -123.93 145.72 48.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.531 -1.213 . . . . 15.0 107.991 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.526 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 55.9 m-85 -100.07 128.68 46.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.402 0.62 . . . . 15.0 111.416 -172.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -117.87 123.06 44.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.125 -0.943 . . . . 15.0 111.041 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.685 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.0 t-20 -90.25 126.73 35.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.79 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.439 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 42.4 m-80 -77.3 -14.67 59.7 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.201 0.815 . . . . 15.0 113.201 -171.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.452 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 42.7 mtm-85 -81.64 -63.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.228 0.537 . . . . 15.0 110.728 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.8 p -86.49 -5.23 59.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.453 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 62.61 35.33 14.39 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.7 pt-20 -97.22 129.68 44.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.878 -173.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.9 p -113.7 119.64 38.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -141.41 150.31 42.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 15.0 110.463 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.35 -6.75 58.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.986 0.422 . . . . 15.0 110.721 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -76.78 138.04 39.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.84 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HB2' ' NZ ' ' A' ' 459' ' ' LYS . 3.6 ttmp? -69.78 129.78 90.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.563 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.526 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 25.2 Cg_exo -61.85 147.86 94.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.008 2.472 . . . . 15.0 112.533 -176.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.73 -23.84 67.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.572 -0.74 . . . . 15.0 111.212 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -100.01 4.18 44.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.728 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.7 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.235 0.54 . . . . 15.0 110.238 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.014 -0.434 . . . . 15.0 112.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -77.44 126.68 31.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.958 0.409 . . . . 15.0 111.004 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 13.4 p -105.86 150.14 25.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.594 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 71.83 143.92 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.851 0.72 . . . . 15.0 111.634 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.2 m -64.17 107.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.523 -0.762 . . . . 15.0 112.121 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 435' ' ' TRP . 5.8 p -113.86 107.37 15.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.597 -0.728 . . . . 15.0 110.556 175.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.772 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 24.0 tt0 72.98 -29.97 0.21 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.201 1.0 . . . . 15.0 112.115 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.408 ' H ' ' C ' ' A' ' 433' ' ' SER . 60.3 m95 -113.11 150.41 32.18 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.684 0.754 . . . . 15.0 111.377 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.0 m -133.18 133.18 42.47 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.032 -1.44 . . . . 15.0 109.644 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.607 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.3 OUTLIER -115.85 139.62 50.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.768 0.794 . . . . 15.0 112.033 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.5 m-85 -126.98 138.79 53.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.856 -1.066 . . . . 15.0 108.888 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.99 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.3 tppp? -90.03 115.65 27.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.54 0.686 . . . . 15.0 109.258 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.87 150.71 22.1 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.041 -0.981 . . . . 15.0 110.493 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.45 -8.16 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.72 1.007 . . . . 15.0 113.72 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.48 -5.06 37.64 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.679 0.752 . . . . 15.0 109.466 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 17.2 53.82 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 114.683 -1.144 . . . . 15.0 114.072 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.99 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.0 mtmm -152.08 173.84 14.43 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.858 1.329 . . . . 15.0 113.469 173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.703 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 5.9 p -98.21 140.91 31.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 114.202 -1.363 . . . . 15.0 112.532 -175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 32.0 p90 -117.9 141.6 48.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 15.0 108.951 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.607 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.6 m-85 -98.34 126.8 43.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.073 0.463 . . . . 15.0 111.534 -174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 83.5 t80 -114.34 123.11 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.341 -0.845 . . . . 15.0 110.643 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.4 t-20 -92.08 126.93 37.36 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -81.25 -7.61 59.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.902 0.751 . . . . 15.0 112.929 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.447 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.0 mtm105 -91.62 -50.68 5.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 15.0 110.677 176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.9 p -88.93 -12.63 41.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.841 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 66.4 34.38 6.31 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.511 0.507 . . . . 15.0 110.188 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.0 pt-20 -105.52 139.71 39.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.971 0.415 . . . . 15.0 111.146 -173.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 5.8 p -119.29 113.94 21.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.567 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.2 t -134.0 150.21 51.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.488 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.414 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 90.1 m95 -84.74 -3.3 58.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.894 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -83.68 134.47 34.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.213 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.787 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 83.5 tttt -64.25 125.29 87.94 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.832 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.5 Cg_exo -61.96 156.16 50.94 Favored 'Trans proline' 0 N--CA 1.474 0.347 0 C-N-CA 123.532 2.821 . . . . 15.0 113.354 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.14 -35.54 61.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.934 0.874 . . . . 15.0 109.979 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' A' ' 462' ' ' GLU . 1.8 pm0 -87.21 8.87 22.07 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.778 -1.101 . . . . 15.0 111.444 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.07 17.94 2.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.44 0.638 . . . . 15.0 110.112 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.787 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 18.2 ptmt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.521 -0.752 . . . . 15.0 110.3 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.544 -0.622 . . . . 15.0 111.544 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.81 114.95 27.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.047 0.424 . . . . 15.0 110.916 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.4 m -86.5 110.08 19.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 15.0 109.911 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -142.13 125.23 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.822 0.344 . . . . 15.0 110.825 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.57 124.18 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.753 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 53.5 p -155.34 138.99 16.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.735 -0.666 . . . . 15.0 109.422 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.53 -30.18 64.97 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.622 0.249 . . . . 15.0 111.435 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 53.2 m95 -125.99 150.39 48.09 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.932 0.872 . . . . 15.0 111.599 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 84.9 m -135.98 136.02 40.01 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 113.696 -1.593 . . . . 15.0 109.215 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.641 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -113.35 137.96 50.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.569 0.7 . . . . 15.0 111.689 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.9 m-85 -129.62 138.22 51.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.983 -1.008 . . . . 15.0 109.384 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.026 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.8 tppt? -91.05 120.93 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.69 150.63 22.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.46 -176.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.11 -20.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.347 1.24 . . . . 15.0 114.347 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -73.41 -3.76 29.37 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.644 0.735 . . . . 15.0 110.056 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 27.56 20.37 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.08 -0.963 . . . . 15.0 114.684 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.026 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.2 mtmm -151.46 169.65 21.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.821 1.311 . . . . 15.0 113.263 170.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.732 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.7 OUTLIER -99.8 145.57 27.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 114.417 -1.265 . . . . 15.0 112.497 -173.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -125.06 146.27 49.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.069 -0.969 . . . . 15.0 108.785 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.641 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 48.9 m-85 -97.18 125.7 41.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.561 0.696 . . . . 15.0 111.415 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -113.56 121.71 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.117 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 24.6 t-20 -90.95 126.84 36.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.283 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.45 -4.94 58.97 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.488 0.551 . . . . 15.0 112.488 -172.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -79.52 -57.45 3.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.609 0.718 . . . . 15.0 109.376 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 16.5 p -99.15 -8.51 25.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.617 -1.174 . . . . 15.0 111.224 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 64.08 38.85 8.18 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.554 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -97.57 136.07 38.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.776 -177.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.7 p -109.73 121.37 45.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.472 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.6 t -139.56 150.18 44.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.892 0.377 . . . . 15.0 110.793 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -87.43 -1.69 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.106 0.479 . . . . 15.0 110.26 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.26 147.31 31.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 15.0 109.821 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.796 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 13.0 ttmm -89.1 115.55 63.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.941 0.401 . . . . 15.0 111.049 -176.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 10.2 Cg_endo -54.04 149.41 35.25 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 124.065 3.177 . . . . 15.0 113.316 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.99 -33.84 76.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.316 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.76 -40.64 95.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.93 -1.032 . . . . 15.0 111.879 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.0 tp -128.66 64.93 1.43 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.488 0.661 . . . . 15.0 110.567 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.796 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 15.0 111.421 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 CA-C-O 121.065 0.258 . . . . 15.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -92.65 142.85 26.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.449 -0.574 . . . . 15.0 109.449 172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 94.69 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.367 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -91.63 92.04 8.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.525 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.6 m -96.35 93.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.532 0.682 . . . . 15.0 111.052 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 50.9 p -98.08 144.77 27.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.538 -0.756 . . . . 15.0 110.224 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.71 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 16.8 tt0 -76.5 -24.05 53.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.443 0.64 . . . . 15.0 109.577 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 460' ' ' PRO . 28.6 m95 -106.68 150.11 26.58 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-O 121.946 0.879 . . . . 15.0 110.731 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 95.1 m -122.98 137.01 55.07 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.162 -1.381 . . . . 15.0 109.191 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.77 132.79 56.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.654 0.74 . . . . 15.0 111.528 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.7 m-85 -125.43 133.19 52.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.117 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.956 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 2.7 tppp? -90.1 114.61 26.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.024 -0.732 . . . . 15.0 109.024 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.57 150.9 22.21 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.088 -0.96 . . . . 15.0 110.65 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -47.78 -17.64 0.12 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.095 1.146 . . . . 15.0 114.095 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -0.34 14.39 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.327 0.584 . . . . 15.0 110.445 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 24.06 29.92 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.09 -0.959 . . . . 15.0 114.994 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.956 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 11.2 mttp -154.19 173.42 16.13 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.998 1.399 . . . . 15.0 112.522 173.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.0 OUTLIER -96.99 145.16 26.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.455 -1.248 . . . . 15.0 111.717 -177.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -119.76 139.14 52.76 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.167 -1.049 . . . . 15.0 108.167 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.632 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 26.0 m-85 -96.32 129.56 43.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 15.0 111.266 -172.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 59.3 t80 -120.93 124.39 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.784 -178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.71 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.4 t-20 -89.74 125.66 35.37 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -77.13 -15.41 59.56 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.331 0.863 . . . . 15.0 113.331 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -98.4 -24.57 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.276 -0.57 . . . . 15.0 111.989 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 28.5 p -107.8 -10.17 15.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.614 0.245 . . . . 15.0 111.051 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 65.96 27.87 10.69 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.942 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.609 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.1 pt-20 -98.02 127.22 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.146 -0.621 . . . . 15.0 111.23 -173.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.4 p -111.69 115.88 29.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.15 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.4 t -146.14 150.37 35.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.459 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 85.2 m95 -78.53 -0.64 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.943 0.402 . . . . 15.0 110.775 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -77.52 137.57 38.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.748 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.568 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 51.4 tttp -66.76 128.69 93.97 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.666 -0.697 . . . . 15.0 111.119 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.632 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 18.9 Cg_exo -66.22 153.57 77.56 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.229 2.619 . . . . 15.0 113.304 -175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 43.8 tt0 -68.94 -34.23 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.84 . . . . 15.0 111.188 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -91.47 -0.91 57.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.591 -0.731 . . . . 15.0 111.427 -178.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.66 16.86 8.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.013 -0.539 . . . . 15.0 109.794 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 4.1 ptmm? . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.727 -0.669 . . . . 15.0 111.069 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.88 -0.488 . . . . 15.0 111.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -112.23 80.28 1.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.132 0.492 . . . . 15.0 110.487 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 23.3 m -83.05 84.7 7.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.932 -0.576 . . . . 15.0 110.715 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -109.97 103.09 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.127 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.46 153.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 15.0 109.827 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.8 p -65.67 145.09 56.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.055 -0.35 . . . . 15.0 110.055 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.57 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 11.5 tp10 -56.5 -30.1 62.59 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.247 0.546 . . . . 15.0 111.173 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 34.0 m95 -111.67 150.13 30.59 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 121.846 0.831 . . . . 15.0 110.617 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.6 m -123.36 127.62 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.895 -1.502 . . . . 15.0 109.203 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.8 pm0 -104.38 124.21 48.8 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.707 0.765 . . . . 15.0 111.025 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 445' ' ' THR . 58.7 m-85 -112.43 130.87 55.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.368 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.959 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 9.4 tppt? -90.05 119.84 30.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.947 -0.76 . . . . 15.0 108.947 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.58 150.91 22.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.537 -174.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.08 -21.89 0.05 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.078 1.14 . . . . 15.0 114.078 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.88 -8.66 55.7 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.437 0.637 . . . . 15.0 110.185 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.45 30.28 12.42 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 115.467 0.947 . . . . 15.0 115.467 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.959 ' HA ' ' HD2' ' A' ' 439' ' ' LYS 0.257 14.6 mttp -147.9 174.72 11.59 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 119.202 1.501 . . . . 15.0 112.503 165.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.4 OUTLIER -102.73 148.21 25.88 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.787 -1.551 . . . . 15.0 112.46 -173.566 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -132.96 144.85 50.4 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 48.7 m-85 -97.83 127.22 43.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.089 0.471 . . . . 15.0 112.066 -170.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 74.5 t80 -110.41 122.64 48.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.59 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.57 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.4 t-20 -93.25 137.04 32.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.407 -0.36 . . . . 15.0 110.4 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.73 10.14 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 15.0 112.464 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.537 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 30.2 mtm-85 -102.49 -31.63 10.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 15.0 110.519 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.3 p -117.84 -6.03 11.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.846 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.38 47.92 15.69 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.326 0.391 . . . . 15.0 110.52 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -116.84 145.93 43.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.062 0.458 . . . . 15.0 111.266 -175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 34.2 p -117.91 123.3 45.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.613 -0.722 . . . . 15.0 110.149 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.9 t -131.62 150.08 52.27 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -93.67 -6.45 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.371 . . . . 15.0 110.93 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -89.39 133.79 34.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.229 -0.441 . . . . 15.0 109.941 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.5 tttm -67.49 119.78 68.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 15.0 109.809 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.421 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 17.2 Cg_exo -68.11 146.78 71.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 123.04 2.493 . . . . 15.0 112.743 -176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 122.075 0.94 . . . . 15.0 109.44 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.8 -17.0 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.719 -1.582 . . . . 15.0 111.613 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.5 tp -147.76 70.51 1.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.383 0.611 . . . . 15.0 110.338 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.1 pttm . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.199 -0.905 . . . . 15.0 110.33 -177.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.821 -0.512 . . . . 15.0 111.821 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -162.86 110.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.707 0.289 . . . . 15.0 110.252 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 31.5 m -111.14 127.03 55.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.489 -0.323 . . . . 15.0 110.38 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -128.0 119.54 25.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.026 0.441 . . . . 15.0 110.522 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.8 m -94.94 111.91 26.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.542 0.687 . . . . 15.0 110.576 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.9 p -131.65 117.96 19.38 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.774 -0.648 . . . . 15.0 110.539 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.755 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.6 tt0 -73.95 -29.92 62.26 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.237 0.541 . . . . 15.0 110.31 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 460' ' ' PRO . 42.0 m95 -113.62 150.14 33.56 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 121.734 0.778 . . . . 15.0 110.523 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 64.8 m -126.84 134.71 50.47 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.058 -1.428 . . . . 15.0 109.756 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.4 OUTLIER -112.95 130.34 56.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.428 0.633 . . . . 15.0 111.12 179.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.0 m-85 -118.84 131.56 56.09 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.0 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -90.25 114.78 26.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.606 -0.887 . . . . 15.0 108.606 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.61 150.65 22.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.971 -1.013 . . . . 15.0 110.854 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.25 -18.64 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.443 1.275 . . . . 15.0 114.443 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -74.14 -2.16 23.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.409 0.623 . . . . 15.0 110.371 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.35 26.89 22.14 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.203 -0.908 . . . . 15.0 114.802 172.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.0 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -153.65 169.24 23.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.705 1.253 . . . . 15.0 113.103 171.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -98.21 148.4 23.63 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 114.501 -1.227 . . . . 15.0 112.367 -177.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 43.8 p90 -126.01 148.79 49.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.985 -1.007 . . . . 15.0 108.432 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 69.8 m-85 -105.09 126.33 51.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 15.0 111.815 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 69.2 t80 -114.15 124.43 52.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.737 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.755 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.24 134.6 34.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -90.48 -1.19 57.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.996 0.739 . . . . 15.0 112.996 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.485 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.5 mtm180 -100.49 -45.34 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.871 -0.518 . . . . 15.0 111.413 177.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 19.4 p -91.23 -17.41 26.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.826 0.346 . . . . 15.0 110.454 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.15 64.69 0.95 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.323 -0.853 . . . . 15.0 110.423 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 15.5 pt-20 -135.31 141.91 45.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.432 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.1 p -119.04 113.2 20.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.165 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.2 t -133.17 150.55 52.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.245 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 82.5 m95 -87.53 -3.3 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.367 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -81.67 136.68 35.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.963 -0.755 . . . . 15.0 108.963 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 39.5 tttm -72.22 115.29 37.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.866 0.365 . . . . 15.0 111.009 -172.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 435' ' ' TRP . 5.0 Cg_exo -42.95 134.05 5.63 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 124.41 3.407 . . . . 15.0 113.709 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.4 -44.76 76.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.316 -0.856 . . . . 15.0 110.969 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -68.61 -4.52 15.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.843 -1.072 . . . . 15.0 111.952 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 16.2 tp -146.13 29.58 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 15.0 110.019 -171.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 4.6 ptmm? . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.855 -0.612 . . . . 15.0 111.564 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.308 -0.317 . . . . 15.0 112.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -121.11 94.46 4.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.762 0.315 . . . . 15.0 110.458 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 18.2 m -74.42 128.77 36.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.482 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -77.3 89.44 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 15.0 111.09 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.28 175.36 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.767 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.8 p -58.47 146.29 35.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.205 -0.907 . . . . 15.0 109.707 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.785 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 11.7 tt0 -72.63 -22.03 61.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.361 0.601 . . . . 15.0 110.367 -176.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.4 ' CZ3' HG22 ' A' ' 456' ' ' THR . 33.8 m95 -109.95 150.06 29.02 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.934 0.873 . . . . 15.0 110.732 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.9 m -122.94 134.06 54.36 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 113.932 -1.486 . . . . 15.0 109.379 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 132.59 54.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.638 0.733 . . . . 15.0 111.512 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 445' ' ' THR . 83.3 m-85 -128.59 135.06 48.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.362 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.077 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.7 tppp? -89.81 114.53 26.27 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.972 -0.751 . . . . 15.0 108.972 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -89.79 150.95 22.04 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.805 -1.088 . . . . 15.0 110.808 -174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.46 -16.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.23 1.196 . . . . 15.0 114.23 -177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -73.53 -1.67 19.54 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.83 -0.544 . . . . 15.0 110.369 174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 22.08 35.6 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.468 -0.787 . . . . 15.0 114.7 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.077 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -153.94 172.96 16.6 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.745 1.272 . . . . 15.0 112.854 172.192 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.747 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 2.1 p -95.86 143.09 27.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 114.414 -1.266 . . . . 15.0 112.283 -176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 31.9 p90 -115.95 148.56 39.95 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.927 -1.138 . . . . 15.0 107.927 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 41.1 m-85 -106.71 118.75 37.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 15.0 111.319 -173.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.55 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 79.4 t80 -107.88 126.31 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.576 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.785 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.3 t-20 -89.81 133.45 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.924 -0.769 . . . . 15.0 108.924 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -81.66 -24.32 36.35 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -171.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.445 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 40.3 mtm180 -84.85 -55.82 3.89 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 15.0 111.469 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 22.1 p -76.4 -24.51 54.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.163 0.506 . . . . 15.0 110.151 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 449' ' ' ASN . 34.2 mt-10 61.92 75.32 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.724 -1.125 . . . . 15.0 110.61 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.9 pt-20 -145.42 145.96 31.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.754 -1.112 . . . . 15.0 110.426 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.401 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.6 m -111.04 113.06 25.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.792 0.329 . . . . 15.0 110.338 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.4 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 14.8 t -120.72 150.14 41.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.952 0.406 . . . . 15.0 110.527 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.71 6.93 47.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.236 0.541 . . . . 15.0 110.42 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -95.13 135.51 36.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.944 -0.571 . . . . 15.0 109.747 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 29.5 tttm -60.52 120.81 55.64 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.61 -177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.9 Cg_exo -63.2 154.94 64.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.305 2.67 . . . . 15.0 113.204 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' A' ' 464' ' ' LYS . 5.6 tp60 -64.82 -33.94 77.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.769 . . . . 15.0 111.395 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -93.5 3.57 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.317 -179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 24.6 tp -130.32 19.75 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.722 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.551 ' H ' ' HD3' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.211 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.576 -178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.371 -0.692 . . . . 15.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.34 81.08 0.21 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.434 0.635 . . . . 15.0 110.794 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 4.1 t -156.5 121.17 4.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 15.0 109.649 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -151.91 134.65 15.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 15.0 110.584 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 435' ' ' TRP . 28.6 t -80.59 72.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.221 0.534 . . . . 15.0 110.39 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 435' ' ' TRP . 23.4 p -99.32 89.82 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.997 -0.547 . . . . 15.0 109.646 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.756 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 71.16 -30.09 0.2 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.843 0.857 . . . . 15.0 111.513 -175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.479 ' H ' ' C ' ' A' ' 433' ' ' SER . 30.4 m95 -110.58 150.07 29.47 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.45 0.643 . . . . 15.0 110.267 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -120.39 131.21 54.71 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.334 -1.303 . . . . 15.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -115.03 131.8 56.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.751 0.786 . . . . 15.0 111.625 -176.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 445' ' ' THR . 93.7 m-85 -128.9 135.56 49.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 15.0 109.08 175.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.965 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.1 tppp? -89.8 115.79 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.038 -0.727 . . . . 15.0 109.038 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.92 150.76 22.04 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.858 -1.065 . . . . 15.0 110.388 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.78 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.475 1.287 . . . . 15.0 114.475 -174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.96 -0.55 21.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.502 0.668 . . . . 15.0 110.137 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 27.83 19.57 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.28 -0.873 . . . . 15.0 114.585 171.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.965 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 21.9 mttp -153.69 167.46 29.51 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.542 1.171 . . . . 15.0 113.245 171.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 29.7 p -96.29 140.87 30.34 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.704 -1.135 . . . . 15.0 112.034 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -112.52 144.33 42.16 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.264 -1.013 . . . . 15.0 108.264 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 81.4 m-85 -106.04 119.27 38.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.16 0.505 . . . . 15.0 111.294 -173.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 71.9 t80 -106.82 121.52 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.485 -0.779 . . . . 15.0 111.2 -177.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.756 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.3 t-20 -90.08 124.85 35.14 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.754 -0.461 . . . . 15.0 109.754 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -83.68 8.41 14.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.674 -0.694 . . . . 15.0 112.627 -172.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 41.7 mtm105 -111.17 -18.26 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.996 -0.44 . . . . 15.0 111.423 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -123.96 -3.98 8.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.481 -0.327 . . . . 15.0 111.236 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 60.99 33.07 19.89 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.2 pt-20 -104.23 129.17 52.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.486 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.3 m -103.01 111.05 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.024 -0.535 . . . . 15.0 109.705 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.1 t -119.13 150.05 40.68 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.919 0.39 . . . . 15.0 110.781 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.45 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.9 m95 -94.64 5.19 52.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.477 174.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.4 131.45 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 15.0 109.376 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.921 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 82.5 tttt -68.83 124.3 89.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 19.0 Cg_exo -64.6 145.96 88.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.794 2.329 . . . . 15.0 112.168 -176.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 30.9 tt0 -70.83 -27.11 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.516 -0.765 . . . . 15.0 110.152 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.42 -2.72 36.67 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.939 -1.028 . . . . 15.0 111.416 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 27.8 tp -135.12 14.02 3.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.899 0.38 . . . . 15.0 110.749 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.921 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 11.2 ptmm? . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.115 -0.945 . . . . 15.0 111.545 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 112.018 -0.433 . . . . 15.0 112.018 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 63.38 93.71 0.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.996 0.518 . . . . 15.0 111.253 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 14.8 t -146.62 168.67 20.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.593 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 63.7 76.16 0.36 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.386 0.674 . . . . 15.0 111.422 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.64 84.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.973 0.892 . . . . 15.0 110.455 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 41.4 p -158.73 107.3 1.92 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.986 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.508 ' HG2' ' NH1' ' A' ' 451' ' ' ARG . 7.2 tp10 -130.58 -25.34 2.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.986 -0.552 . . . . 15.0 110.743 175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.08 150.29 29.59 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.619 0.723 . . . . 15.0 111.045 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.3 m -123.98 135.62 53.77 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.288 -1.324 . . . . 15.0 109.272 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -108.82 134.82 51.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.421 0.629 . . . . 15.0 111.149 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 68.5 m-85 -122.6 134.88 54.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.16 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.987 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.97 116.89 28.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.263 0.554 . . . . 15.0 109.738 178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.9 p -89.73 150.83 22.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.814 -1.084 . . . . 15.0 110.599 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.84 -21.83 0.07 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.364 1.246 . . . . 15.0 114.364 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.74 -2.19 13.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.523 0.678 . . . . 15.0 110.494 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.41 22.83 33.3 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.267 -0.879 . . . . 15.0 114.497 171.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.987 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.4 mtmm -151.11 172.38 15.87 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.73 1.265 . . . . 15.0 112.481 171.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.685 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 14.9 p -94.72 141.13 28.98 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.483 -1.235 . . . . 15.0 112.862 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 11.5 p90 -116.81 148.33 41.31 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 173.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 455' ' ' SER . 76.9 m-85 -104.11 127.07 51.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.31 0.576 . . . . 15.0 112.159 -169.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.459 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 87.3 t80 -113.92 125.37 53.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.052 -0.976 . . . . 15.0 110.67 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.79 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.1 t-20 -102.72 131.09 49.79 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.984 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -84.21 -0.82 53.69 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.012 0.745 . . . . 15.0 113.012 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 21.6 mtm180 -86.13 -33.64 20.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.013 0.435 . . . . 15.0 110.678 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 71.4 p -132.53 -1.52 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.256 -171.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.459 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 2.1 mp0 64.19 31.3 13.28 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.857 -0.61 . . . . 15.0 110.555 -174.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.9 pt-20 -89.94 133.03 35.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.056 0.455 . . . . 15.0 110.771 -173.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 26.1 p -118.43 117.72 29.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.989 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.7 t -132.83 150.3 52.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.482 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.473 ' CZ3' ' HE2' ' A' ' 444' ' ' LYS . 89.1 m95 -86.92 -1.04 57.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.431 -0.35 . . . . 15.0 111.617 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.75 145.2 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.686 -0.487 . . . . 15.0 109.686 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 33.2 tttm -67.77 123.97 88.24 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.181 -174.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.546 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 55.7 Cg_exo -55.78 152.33 35.73 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.784 2.989 . . . . 15.0 113.681 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.89 -38.71 91.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.822 -0.627 . . . . 15.0 110.774 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -97.05 7.21 47.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.502 -0.772 . . . . 15.0 112.094 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 26.3 tp -136.79 19.01 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.29 0.567 . . . . 15.0 110.408 -179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 459' ' ' LYS . 19.4 pttm . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.847 -0.597 . . . . 15.0 110.243 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.933 -0.467 . . . . 15.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 54.16 77.04 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.17 0.51 . . . . 15.0 111.23 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 22.1 m -102.71 93.04 4.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.525 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -97.75 84.98 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.64 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 10.5 p -176.41 137.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.32 -0.855 . . . . 15.0 109.611 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.55 95.26 4.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.248 0.547 . . . . 15.0 110.655 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.889 ' HG2' ' HG3' ' A' ' 451' ' ' ARG . 8.5 tp10 -86.87 -15.39 39.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.214 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 449' ' ' ASN . 30.8 m95 -94.77 150.13 20.53 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.979 0.895 . . . . 15.0 111.344 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.7 m -124.77 143.55 50.73 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.969 -1.469 . . . . 15.0 109.485 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 0.1 OUTLIER -114.08 131.53 56.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.569 0.7 . . . . 15.0 111.354 -178.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.5 m-85 -125.15 132.82 53.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.453 -0.794 . . . . 15.0 109.331 176.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.063 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.4 tppp? -89.91 113.56 25.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.56 150.87 22.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.307 -0.861 . . . . 15.0 110.575 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.84 0.1 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.106 1.151 . . . . 15.0 114.106 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.27 -1.7 4.92 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.218 0.532 . . . . 15.0 110.749 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 17.02 54.33 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.392 -0.822 . . . . 15.0 114.844 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.063 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -149.65 172.15 15.51 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.971 1.385 . . . . 15.0 113.044 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.777 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -97.74 143.82 27.99 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.386 -1.279 . . . . 15.0 112.474 -174.024 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -125.16 147.32 49.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.682 -1.145 . . . . 15.0 107.972 174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 437' ' ' GLU . 64.7 m-85 -103.03 124.48 48.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 15.0 111.549 -172.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -109.58 122.73 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.974 -1.012 . . . . 15.0 111.003 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 435' ' ' TRP . 24.8 t-20 -91.14 126.69 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.479 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.443 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 54.2 m-80 -79.68 -16.18 56.18 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.82 0.674 . . . . 15.0 112.82 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.889 ' HG3' ' HG2' ' A' ' 434' ' ' GLU . 50.0 mtm-85 -73.01 -55.96 5.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.2 0.524 . . . . 15.0 110.538 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.6 p -102.32 -2.98 27.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.434 -176.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 62.6 38.04 12.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.115 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.69 130.04 53.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.764 -176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -111.93 121.99 46.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.4 -0.364 . . . . 15.0 111.107 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.9 t -139.45 150.41 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -76.13 -6.78 52.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.056 0.455 . . . . 15.0 110.936 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.39 122.59 32.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.377 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 39.0 ttpt -63.49 128.42 92.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 111.279 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.444 ' HG3' ' CG ' ' A' ' 435' ' ' TRP . 52.7 Cg_endo -68.23 159.72 51.99 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.492 2.794 . . . . 15.0 113.653 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.666 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 45.4 tp60 -62.04 -33.29 74.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.823 -1.081 . . . . 15.0 111.246 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.88 1.07 18.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.291 -0.868 . . . . 15.0 111.851 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.0 tp -133.75 18.53 3.87 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.883 0.373 . . . . 15.0 110.381 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 5.6 ptmm? . . . . . 0 C--O 1.254 1.339 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.372 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.833 -0.507 . . . . 15.0 111.833 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -147.19 105.51 3.78 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 7.7 t -111.72 124.82 53.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.287 0.565 . . . . 15.0 110.922 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -165.21 99.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.208 -0.906 . . . . 15.0 109.138 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.0 t 55.19 69.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.52 0.676 . . . . 15.0 109.892 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 435' ' ' TRP . 1.1 p -106.07 93.77 4.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.673 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 69.78 -27.67 0.16 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.174 0.99 . . . . 15.0 111.653 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.492 ' H ' ' C ' ' A' ' 433' ' ' SER . 63.9 m95 -101.43 150.35 23.13 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.822 0.82 . . . . 15.0 110.866 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.5 m -124.46 142.36 51.37 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.017 -1.447 . . . . 15.0 109.103 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.38 131.51 54.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.642 0.734 . . . . 15.0 111.566 -177.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 445' ' ' THR . 78.9 m-85 -130.78 134.94 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.513 -0.767 . . . . 15.0 109.437 175.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.951 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.2 tppp? -91.24 117.89 30.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.7 p -89.8 150.88 22.06 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.463 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.16 -18.3 0.05 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.6 1.333 . . . . 15.0 114.6 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.43 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 7.3 p-10 -75.27 -1.23 22.57 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.347 0.594 . . . . 15.0 110.173 175.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.1 28.39 18.0 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.313 -0.858 . . . . 15.0 115.018 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.951 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmt -152.4 166.3 32.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.182 0.991 . . . . 15.0 113.441 171.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.693 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 16.1 p -97.03 139.63 32.75 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.449 -1.251 . . . . 15.0 111.806 -176.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -114.13 141.03 48.01 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.28 -1.007 . . . . 15.0 108.28 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 455' ' ' SER . 39.0 m-85 -98.2 119.27 36.57 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.241 0.543 . . . . 15.0 111.028 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 57.9 t80 -106.62 122.52 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.091 -0.958 . . . . 15.0 110.403 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.666 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.4 t-20 -97.01 130.67 44.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.413 -0.358 . . . . 15.0 110.394 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -83.47 -2.12 55.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 15.0 112.617 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.48 -26.63 20.83 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.51 . . . . 15.0 110.351 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 13.1 p -132.15 -1.51 3.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.52 -0.764 . . . . 15.0 111.871 -170.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 58.26 27.72 15.59 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.04 -0.527 . . . . 15.0 110.835 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 14.8 pt-20 -93.64 146.64 23.67 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.626 -0.429 . . . . 15.0 110.978 -171.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 16.3 m -123.43 114.64 20.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.78 0.324 . . . . 15.0 110.715 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -124.93 150.18 46.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.175 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.601 ' CZ3' ' HE3' ' A' ' 444' ' ' LYS . 91.8 m95 -94.7 4.65 53.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.191 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -98.11 149.1 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 26.8 tttm -71.04 116.2 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.593 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 463' ' ' LEU . 36.5 Cg_exo -62.12 153.91 66.18 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.5 2.8 . . . . 15.0 113.286 -175.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -35.26 78.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.235 -0.893 . . . . 15.0 109.823 -178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.31 1.36 57.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.783 -0.644 . . . . 15.0 111.449 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 25.9 tp -128.08 24.8 5.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.308 0.575 . . . . 15.0 109.726 -178.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.435 ' OXT' ' HG3' ' A' ' 464' ' ' LYS . 23.7 pttm . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.321 -0.847 . . . . 15.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.464 -0.655 . . . . 15.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -120.82 92.82 3.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.853 0.358 . . . . 15.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 3.9 t -132.94 106.29 7.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.411 0.624 . . . . 15.0 110.423 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -166.33 91.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.591 -0.731 . . . . 15.0 110.231 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 463' ' ' LEU . 3.7 p -138.86 113.98 8.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.218 0.532 . . . . 15.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.6 p -167.8 49.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.657 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 21.9 tt0 -126.31 -22.32 4.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.961 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -112.56 150.16 31.72 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.927 0.87 . . . . 15.0 111.227 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 55.5 m -130.69 132.72 45.56 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 113.453 -1.703 . . . . 15.0 109.187 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 446' ' ' TYR . 0.0 OUTLIER -117.85 130.59 56.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.833 0.825 . . . . 15.0 111.124 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 74.7 m-85 -123.36 143.87 49.83 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.966 -1.015 . . . . 15.0 109.208 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.055 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.7 120.19 30.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 178.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.76 150.75 22.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.91 -1.041 . . . . 15.0 110.348 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.35 -18.22 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.791 1.034 . . . . 15.0 113.791 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.05 -7.04 37.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.692 0.758 . . . . 15.0 110.011 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.25 40.88 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 114.904 -1.044 . . . . 15.0 114.747 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.055 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.2 mtmm -148.31 174.55 11.91 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 119.015 1.407 . . . . 15.0 112.464 171.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.624 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 2.1 p -96.44 143.75 27.18 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 114.541 -1.209 . . . . 15.0 112.948 -176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 437' ' ' GLU . 46.2 p90 -117.48 149.95 39.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.618 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 77.1 m-85 -101.15 126.08 47.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 15.0 111.495 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 48.2 t80 -115.03 121.77 44.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.848 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.657 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.47 129.72 36.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.203 -0.666 . . . . 15.0 109.203 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -79.99 -13.93 58.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.223 0.823 . . . . 15.0 113.223 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.51 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 35.0 mtm105 -82.08 -55.06 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.913 -0.492 . . . . 15.0 110.67 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -86.49 -11.18 52.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.457 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.49 31.29 14.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.396 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 13.3 pt-20 -97.54 139.94 32.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.928 -173.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 4.2 m -115.56 120.78 40.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.031 -0.531 . . . . 15.0 109.719 176.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.1 t -139.34 150.2 45.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.622 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -87.53 -1.93 58.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.332 -0.394 . . . . 15.0 110.341 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.64 128.9 33.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.246 -0.65 . . . . 15.0 109.246 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 42.7 tttm -75.17 118.58 71.66 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.06 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.518 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.1 Cg_endo -44.4 150.38 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 124.585 3.524 . . . . 15.0 113.323 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.07 -31.67 30.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.754 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 462' ' ' GLU . 1.7 pm0 -74.68 -14.8 60.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.68 -1.146 . . . . 15.0 110.72 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 432' ' ' VAL . 56.0 tp -137.62 66.32 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.741 0.781 . . . . 15.0 109.711 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.259 -0.882 . . . . 15.0 110.06 -178.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.841 -0.503 . . . . 15.0 111.841 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -136.13 119.53 16.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.801 0.334 . . . . 15.0 110.296 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 9.8 t -115.99 156.5 26.16 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.27 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 66.73 102.85 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.868 0.73 . . . . 15.0 111.356 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.22 141.1 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.193 0.521 . . . . 15.0 110.632 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.4 p -77.75 132.55 38.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.43 -0.804 . . . . 15.0 110.161 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.604 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 39.9 tt0 -80.9 -27.59 36.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.81 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -120.01 150.41 40.59 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.999 0.904 . . . . 15.0 112.046 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.9 m -121.83 133.12 54.89 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 113.704 -1.589 . . . . 15.0 108.973 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.28 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.378 0.608 . . . . 15.0 111.564 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 445' ' ' THR . 69.0 m-85 -132.75 136.56 46.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.265 176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.052 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.1 tppt? -89.94 116.36 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.526 -0.916 . . . . 15.0 108.526 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.74 150.75 22.16 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.713 -1.131 . . . . 15.0 110.091 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -48.69 -12.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.852 1.056 . . . . 15.0 113.852 -176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -70.04 -6.74 35.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.319 0.58 . . . . 15.0 109.972 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.33 16.01 56.22 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.098 -0.956 . . . . 15.0 114.145 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.052 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.7 mttp -146.76 177.1 9.36 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.53 1.165 . . . . 15.0 112.437 172.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.668 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.6 OUTLIER -102.0 144.97 29.95 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 113.569 -1.651 . . . . 15.0 112.915 -173.132 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -125.85 149.19 48.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.589 -1.263 . . . . 15.0 107.589 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.439 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 67.9 m-85 -107.81 127.35 53.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.449 0.643 . . . . 15.0 111.822 -170.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.514 ' OH ' ' HG3' ' A' ' 453' ' ' GLU . 57.4 t80 -105.04 117.83 34.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.705 -1.134 . . . . 15.0 110.396 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.656 ' HB3' ' CG ' ' A' ' 454' ' ' GLU . 15.4 t-20 -91.16 124.96 35.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.749 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -81.25 5.64 16.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.483 -0.78 . . . . 15.0 113.066 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.604 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 19.5 mtm180 -83.53 -60.43 2.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.351 0.596 . . . . 15.0 109.751 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 54.4 p -113.07 5.46 17.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.895 -1.048 . . . . 15.0 110.735 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.514 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 63.67 36.89 10.48 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.333 -174.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.656 ' CG ' ' HB3' ' A' ' 449' ' ' ASN . 11.8 pt-20 -90.09 121.05 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.619 . . . . 15.0 109.988 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.1 p -109.12 119.87 40.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.612 -0.722 . . . . 15.0 110.643 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.3 t -141.97 150.23 41.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 15.0 110.756 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 93.3 m95 -77.87 -5.04 49.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.339 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -71.22 124.57 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 15.0 110.02 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.82 ' HE2' ' HA ' ' A' ' 464' ' ' LYS . 79.0 tttt -60.47 130.25 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.393 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.439 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 10.4 Cg_exo -69.03 153.24 72.61 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.967 2.445 . . . . 15.0 113.206 -172.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 5.9 tp60 -64.85 -32.58 74.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.301 -0.863 . . . . 15.0 111.128 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 462' ' ' GLU . 0.0 OUTLIER -94.56 5.95 50.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.904 -177.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.408 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 20.2 tp -136.74 16.82 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 15.0 110.468 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.82 ' HA ' ' HE2' ' A' ' 459' ' ' LYS . 6.7 ptmm? . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.386 -0.816 . . . . 15.0 111.591 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.951 0 N-CA-C 112.011 -0.435 . . . . 15.0 112.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 59.36 89.72 0.06 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.033 0.533 . . . . 15.0 111.7 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.0 p -125.42 132.96 52.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.339 -175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -160.69 141.65 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 15.0 109.968 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.6 m 39.45 64.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 124.33 1.019 . . . . 15.0 112.778 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.5 p -80.52 114.58 19.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.453 -0.794 . . . . 15.0 111.495 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 450' ' ' ASN . 11.4 tp10 -71.24 -22.79 61.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.551 0.691 . . . . 15.0 110.224 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 56.8 m95 -105.52 150.39 25.38 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.29 -0.868 . . . . 15.0 110.924 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.7 m -130.11 137.95 50.44 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 114.408 -1.269 . . . . 15.0 109.54 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -114.82 129.74 56.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.546 0.688 . . . . 15.0 111.656 -175.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' A' ' 445' ' ' THR . 73.0 m-85 -125.19 135.06 52.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.562 -0.744 . . . . 15.0 109.67 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.024 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.9 tppp? -89.75 111.32 22.28 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.589 -0.893 . . . . 15.0 108.589 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.2 p -89.87 150.78 22.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.822 -1.081 . . . . 15.0 111.137 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -46.72 -14.69 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.255 1.206 . . . . 15.0 114.255 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.85 4.69 11.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.51 0.672 . . . . 15.0 110.387 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 11.45 62.81 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 115.837 1.095 . . . . 15.0 115.837 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.024 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -150.56 177.65 9.82 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.87 1.835 . . . . 15.0 113.555 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.762 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.2 p -97.6 141.56 30.49 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 113.3 -1.773 . . . . 15.0 112.428 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 26.3 p90 -121.93 145.52 48.02 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.483 -0.932 . . . . 15.0 108.483 175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -95.73 121.86 37.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.964 0.411 . . . . 15.0 110.609 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -107.01 123.05 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.367 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.48 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.3 t-20 -98.56 130.28 45.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.011 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.478 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 55.5 m-80 -80.56 -15.58 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.814 0.672 . . . . 15.0 112.814 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -74.41 -57.19 4.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.413 0.625 . . . . 15.0 110.089 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 7.4 p -95.83 -6.54 39.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.429 -0.805 . . . . 15.0 111.465 -176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.55 35.35 22.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.42 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -99.05 150.05 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.934 -0.576 . . . . 15.0 110.691 -173.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 446' ' ' TYR . 8.7 m -122.84 116.83 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.152 178.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.0 t -130.85 150.26 52.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 15.0 110.697 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 82.8 m95 -91.92 6.17 47.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.464 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.85 145.36 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.073 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 69.3 tttt -68.86 126.26 92.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.823 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 31.8 Cg_exo -60.39 147.44 94.01 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.275 2.65 . . . . 15.0 112.411 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 5.9 tp-100 -73.17 -23.96 60.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 15.0 110.14 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.434 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.5 pm0 -81.33 -2.28 48.53 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.828 175.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.55 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.7 tp -132.1 13.55 4.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.883 0.373 . . . . 15.0 110.437 -176.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 3.3 ptmm? . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.428 -0.796 . . . . 15.0 112.107 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.825 -0.51 . . . . 15.0 111.825 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -94.86 96.09 9.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.926 0.393 . . . . 15.0 110.814 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 28.8 m -75.71 135.8 40.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.082 -0.508 . . . . 15.0 109.958 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 63.92 81.55 0.2 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.76 0.662 . . . . 15.0 110.908 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.77 128.42 9.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.966 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.8 p 52.63 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.803 0.841 . . . . 15.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.585 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 16.3 tp10 -70.97 -30.24 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.678 0.751 . . . . 15.0 109.607 174.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.498 ' HE1' ' CD ' ' A' ' 462' ' ' GLU . 49.6 m95 -106.92 143.72 34.6 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.399 -0.818 . . . . 15.0 110.382 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 45.0 m -109.08 138.78 44.9 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.087 -1.415 . . . . 15.0 109.001 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.54 125.57 53.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.682 0.753 . . . . 15.0 110.552 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 445' ' ' THR . 50.6 m-85 -113.89 128.91 56.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.182 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.997 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -90.03 115.09 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 15.0 109.215 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -89.76 150.94 22.06 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.652 -1.158 . . . . 15.0 110.78 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -36.36 -32.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.454 1.279 . . . . 15.0 114.454 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.33 -5.65 11.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.89 0.376 . . . . 15.0 111.372 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 27.45 20.59 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 119.477 -0.624 . . . . 15.0 114.594 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.997 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.8 mtmm -152.12 173.04 15.42 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 118.352 1.076 . . . . 15.0 112.066 168.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.658 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 15.0 p -98.08 142.76 29.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.461 -1.245 . . . . 15.0 113.03 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -117.23 147.02 42.89 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.013 -1.106 . . . . 15.0 108.013 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 32.0 m-85 -101.46 133.52 45.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.403 0.621 . . . . 15.0 111.768 -169.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -121.18 121.95 38.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.265 -0.88 . . . . 15.0 110.992 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.585 ' ND2' ' HG3' ' A' ' 434' ' ' GLU . 27.2 t-20 -90.07 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.932 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.06 -29.41 39.18 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.576 0.547 . . . . 15.0 112.394 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.52 ' NH1' ' HG2' ' A' ' 434' ' ' GLU . 26.3 mtm180 -61.9 -61.93 2.15 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.122 0.487 . . . . 15.0 111.125 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 8.5 p -93.45 -4.72 50.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 15.0 111.95 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 62.92 32.07 15.88 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.998 0.427 . . . . 15.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.2 pt-20 -97.14 133.63 41.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.09 0.472 . . . . 15.0 110.821 -174.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.6 p -114.24 120.59 40.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.907 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.1 t -141.41 150.14 41.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.95 0.405 . . . . 15.0 110.48 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -83.45 -1.83 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.891 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -86.08 145.8 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.088 -0.506 . . . . 15.0 110.677 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 36.9 tttm -64.98 126.1 90.51 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.635 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 463' ' ' LEU . 31.4 Cg_exo -60.96 150.61 83.07 Favored 'Trans proline' 0 N--CA 1.476 0.471 0 C-N-CA 123.541 2.827 . . . . 15.0 113.288 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.608 ' O ' ' HD2' ' A' ' 464' ' ' LYS . 8.8 tt0 -72.05 -40.55 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.754 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.498 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.6 pm0 -79.98 2.28 24.23 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.154 178.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 460' ' ' PRO . 22.4 tp -133.87 26.97 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.07 0.462 . . . . 15.0 110.097 -177.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.192 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.521 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 N-CA-C 111.916 -0.474 . . . . 15.0 111.916 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -161.75 77.39 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.116 0.484 . . . . 15.0 109.993 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 82.6 m -102.58 111.02 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.642 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -163.42 81.68 0.46 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.726 -0.67 . . . . 15.0 110.179 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.5 p -105.26 80.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.444 1.116 . . . . 15.0 110.141 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.7 p -164.68 108.97 0.92 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.443 -1.253 . . . . 15.0 108.632 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.719 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.8 tt0 -90.65 -17.97 25.92 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.167 0.508 . . . . 15.0 110.645 -171.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 448' ' ' TYR . 31.7 m95 -119.79 150.24 40.73 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 122.114 0.959 . . . . 15.0 111.757 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.8 m -131.28 148.39 52.68 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 113.625 -1.625 . . . . 15.0 109.067 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.31 140.88 52.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.387 0.613 . . . . 15.0 111.083 -178.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' A' ' 445' ' ' THR . 81.8 m-85 -136.81 138.78 41.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.011 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.002 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 0.0 OUTLIER -89.95 116.41 27.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.723 0.773 . . . . 15.0 109.578 -178.261 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.1 p -89.78 150.83 22.1 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.312 -1.313 . . . . 15.0 110.309 -177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -54.23 -1.47 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.709 1.003 . . . . 15.0 113.709 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -77.0 -5.55 49.14 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.59 0.71 . . . . 15.0 109.184 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 19.7 44.7 Favored Glycine 0 N--CA 1.439 -1.108 0 CA-C-N 114.855 -1.066 . . . . 15.0 113.841 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.002 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.9 mtmm -153.15 175.83 12.6 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 118.392 1.096 . . . . 15.0 112.927 171.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.621 HG23 ' HZ2' ' A' ' 439' ' ' LYS . 13.2 p -99.46 140.87 33.0 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 114.478 -1.237 . . . . 15.0 112.178 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -110.98 146.57 36.42 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.268 -0.878 . . . . 15.0 108.648 175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -100.67 124.07 45.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.256 0.55 . . . . 15.0 110.967 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 78.3 t80 -113.71 125.41 54.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.985 -1.007 . . . . 15.0 110.871 -174.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.719 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 25.2 t-20 -92.8 129.37 38.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.554 -0.536 . . . . 15.0 109.554 177.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.41 -24.2 50.49 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.936 0.717 . . . . 15.0 112.936 -172.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.464 ' HE ' ' CD ' ' A' ' 434' ' ' GLU . 38.8 mtm105 -76.72 -46.05 26.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.564 -0.454 . . . . 15.0 111.383 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.5 p -94.92 -14.04 24.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.836 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.22 36.24 12.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.945 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.3 pt-20 -102.54 150.05 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 15.0 110.75 -174.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.2 m -124.33 123.71 40.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.992 0.425 . . . . 15.0 110.65 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.9 t -136.15 150.12 48.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.305 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.428 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.0 m95 -90.52 4.43 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 15.0 111.115 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.56 139.17 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.049 -0.722 . . . . 15.0 109.049 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 23.4 ttmm -75.74 116.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.402 -0.363 . . . . 15.0 111.203 -175.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 2.7 Cg_endo -50.48 145.53 21.76 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.653 2.902 . . . . 15.0 112.735 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 461' ' ' GLN . 6.7 tt0 -62.06 -29.86 70.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.2 -0.909 . . . . 15.0 111.439 -175.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -82.26 -3.48 55.26 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.908 -0.587 . . . . 15.0 111.769 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 24.8 tp -121.34 1.34 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 15.0 111.417 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.52 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.561 -0.733 . . . . 15.0 110.774 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 112.394 -0.282 . . . . 15.0 112.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -118.51 110.47 17.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.85 0.357 . . . . 15.0 110.237 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 1.9 p -86.1 102.7 14.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.237 0.541 . . . . 15.0 111.39 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -88.37 93.32 9.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.52 . . . . 15.0 110.001 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 45.3 t -85.64 100.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.593 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 27.0 p -152.59 122.58 7.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.913 -0.585 . . . . 15.0 109.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 451' ' ' ARG . 9.6 tp10 -77.77 -19.97 54.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.44 0.638 . . . . 15.0 110.314 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.506 ' NE1' ' HB3' ' A' ' 460' ' ' PRO . 43.6 m95 -102.47 150.01 23.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.734 0.778 . . . . 15.0 111.589 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -124.76 135.88 53.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.064 -1.425 . . . . 15.0 109.51 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 447' ' ' TYR . 0.2 OUTLIER -116.35 134.26 55.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.571 0.701 . . . . 15.0 111.599 -177.221 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 445' ' ' THR . 79.6 m-85 -127.18 138.71 53.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.3 -0.864 . . . . 15.0 108.782 174.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.988 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 11.0 tppt? -89.88 116.7 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.454 0.645 . . . . 15.0 109.779 -178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 p -89.76 151.0 22.04 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.766 -1.106 . . . . 15.0 110.502 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.87 0.27 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.936 1.087 . . . . 15.0 113.936 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -78.46 -6.29 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.863 -0.791 . . . . 15.0 108.863 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.39 15.48 57.06 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.808 -1.087 . . . . 15.0 113.65 177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.988 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 13.7 mtmm -148.07 175.5 10.97 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 122.338 1.066 . . . . 15.0 113.164 173.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.687 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 0.8 OUTLIER -99.35 143.26 29.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.61 -1.632 . . . . 15.0 111.88 -174.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.04 142.41 47.86 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.338 -0.986 . . . . 15.0 108.338 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 437' ' ' GLU . 68.7 m-85 -101.1 122.92 44.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.299 0.571 . . . . 15.0 111.579 -171.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 82.2 t80 -106.39 121.97 45.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.227 -0.897 . . . . 15.0 110.242 178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.15 125.25 35.38 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -78.88 -3.22 43.59 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 124.246 0.966 . . . . 15.0 112.687 -171.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.503 ' CZ ' ' HG2' ' A' ' 434' ' ' GLU . 22.6 mtm180 -95.98 -56.29 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 15.0 110.531 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.2 p -89.66 -0.48 57.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.667 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.2 32.64 20.92 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.996 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 448' ' ' TYR . 12.2 pt-20 -108.27 141.87 39.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.517 -0.473 . . . . 15.0 111.277 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.3 p -117.51 112.18 20.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.164 0.506 . . . . 15.0 110.385 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.1 t -131.56 150.15 52.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.244 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 91.7 m95 -84.44 -6.63 59.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.4 -0.364 . . . . 15.0 110.802 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.54 122.75 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.633 -0.506 . . . . 15.0 109.633 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 4.2 ttmp? -67.54 121.86 80.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 15.0 110.315 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.506 ' HB3' ' NE1' ' A' ' 435' ' ' TRP . 1.8 Cg_endo -44.81 146.59 2.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 124.111 3.207 . . . . 15.0 113.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -57.97 -33.95 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.418 0.628 . . . . 15.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.35 -1.76 25.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.836 -1.074 . . . . 15.0 111.881 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 22.6 tp -126.06 -21.23 4.36 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.444 0.535 . . . . 15.0 112.444 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 464' ' ' LYS . 12.6 pttm . . . . . 0 C--O 1.247 0.968 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.747 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.795 -0.522 . . . . 15.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . 68.25 105.83 0.05 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.192 0.597 . . . . 15.0 112.12 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 2.0 m 60.55 31.7 20.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.557 -0.747 . . . . 15.0 111.144 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -135.94 97.95 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.605 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.0 p -171.18 122.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.82 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.0 p 58.86 121.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.468 1.107 . . . . 15.0 113.339 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.62 -29.77 70.27 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.924 -0.58 . . . . 15.0 110.501 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 456' ' ' THR . 35.6 m95 -109.35 139.52 44.2 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.357 177.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 91.6 m -101.14 145.1 29.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.497 -1.229 . . . . 15.0 109.654 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.34 135.47 55.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.295 0.569 . . . . 15.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 445' ' ' THR . 91.0 m-85 -132.72 135.28 45.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.104 -0.702 . . . . 15.0 109.104 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.047 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 10.2 tppt? -89.93 109.36 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.646 -0.872 . . . . 15.0 108.646 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 p -89.89 150.81 22.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.733 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -49.62 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.396 1.628 . . . . 15.0 115.396 -173.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -82.36 -1.78 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.644 -0.66 . . . . 15.0 109.506 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.32 16.26 55.8 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.058 -0.974 . . . . 15.0 114.07 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.047 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.6 mtmm -147.54 172.3 14.2 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 118.292 1.046 . . . . 15.0 112.886 175.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.724 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.6 p -99.2 140.23 33.68 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 114.425 -1.261 . . . . 15.0 112.015 -175.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -112.04 147.87 35.07 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.918 -1.141 . . . . 15.0 107.918 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 455' ' ' SER . 43.2 m-85 -108.62 124.94 51.29 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.194 0.521 . . . . 15.0 111.099 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 435' ' ' TRP . 32.3 t80 -109.1 118.12 35.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.939 -1.028 . . . . 15.0 110.482 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.574 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.5 t-20 -90.15 126.45 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.352 -0.24 . . . . 15.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -81.12 0.31 36.77 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 124.06 0.85 . . . . 15.0 112.825 -172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.414 ' CZ ' HD21 ' A' ' 449' ' ' ASN . 19.8 mtm180 -91.68 -29.86 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.322 0.582 . . . . 15.0 110.445 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.2 p -130.09 -0.19 4.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 15.0 111.567 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.432 ' HG3' ' OH ' ' A' ' 448' ' ' TYR . 0.7 OUTLIER 59.39 29.41 18.97 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.178 -177.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.574 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.0 pt-20 -95.5 128.99 42.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 15.0 111.215 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 1.5 m -105.98 119.91 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.892 -0.41 . . . . 15.0 109.892 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.449 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 4.9 t -136.19 150.28 48.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.856 0.36 . . . . 15.0 110.575 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.409 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 92.4 m95 -89.55 -12.66 39.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.553 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.55 129.53 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 44.5 tttp -59.9 116.03 15.39 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 123.461 0.476 . . . . 15.0 110.908 -174.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 32.5 Cg_exo -59.59 157.23 32.96 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 123.748 2.965 . . . . 15.0 113.863 -172.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 0.9 OUTLIER -64.08 -44.27 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.357 -0.838 . . . . 15.0 110.535 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.445 ' CD ' ' HE1' ' A' ' 435' ' ' TRP . 1.4 pm0 -83.33 6.58 19.3 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.302 -0.863 . . . . 15.0 111.513 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 463' ' ' LEU . 27.2 tp -141.41 30.08 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.855 0.359 . . . . 15.0 110.643 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 6.4 ptmm? . . . . . 0 C--O 1.252 1.236 0 CA-C-O 119.173 -0.441 . . . . 15.0 110.98 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.734 -0.546 . . . . 15.0 111.734 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -144.49 119.35 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.452 -0.203 . . . . 15.0 110.452 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 32.6 p 50.2 30.58 4.43 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.164 0.915 . . . . 15.0 112.337 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . 58.23 82.79 0.13 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.543 -0.753 . . . . 15.0 111.969 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.76 140.75 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.882 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 13.3 p -68.88 134.33 49.47 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.577 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.586 ' OE2' ' HD3' ' A' ' 451' ' ' ARG . 38.9 tt0 -72.46 -28.48 62.95 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.059 0.457 . . . . 15.0 110.026 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -121.95 150.39 42.1 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.238 1.018 . . . . 15.0 112.049 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.2 m -122.4 141.63 51.38 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.817 -1.538 . . . . 15.0 109.135 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.65 132.62 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.431 0.634 . . . . 15.0 111.475 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 445' ' ' THR . 94.5 m-85 -126.74 133.96 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.629 -0.714 . . . . 15.0 109.853 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.927 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.6 tppp? -90.09 121.23 31.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.297 0.57 . . . . 15.0 109.59 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 p -89.62 150.82 22.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.213 -0.903 . . . . 15.0 110.342 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.29 -14.23 0.16 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.362 1.245 . . . . 15.0 114.362 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.11 -4.04 39.37 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.686 0.755 . . . . 15.0 110.138 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 30.06 13.46 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.144 -0.934 . . . . 15.0 114.712 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.927 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 15.6 mttp -150.57 167.72 26.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 118.763 1.281 . . . . 15.0 112.57 170.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.723 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 17.8 p -95.0 140.85 29.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.645 -1.161 . . . . 15.0 112.259 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -114.98 141.02 48.55 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.747 -1.205 . . . . 15.0 107.747 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 455' ' ' SER . 55.5 m-85 -93.8 123.28 37.04 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.395 0.616 . . . . 15.0 111.172 -173.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -109.51 119.94 40.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.778 -1.101 . . . . 15.0 110.319 -175.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.783 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 16.3 t-20 -93.44 125.19 37.92 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.401 -0.818 . . . . 15.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -75.85 -12.86 60.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.586 ' HD3' ' OE2' ' A' ' 434' ' ' GLU . 39.4 mtm180 -68.15 -56.13 9.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.893 0.378 . . . . 15.0 110.472 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 453' ' ' GLU . 44.1 p -119.03 3.58 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 15.0 111.367 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 452' ' ' THR . 49.2 mt-10 67.54 33.01 5.33 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.5 0.5 . . . . 15.0 110.353 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.783 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.3 pt-20 -89.62 127.04 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.289 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 12.5 p -113.87 125.91 54.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.191 -0.458 . . . . 15.0 111.137 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.0 t -144.07 150.33 38.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.178 -0.464 . . . . 15.0 110.15 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.443 ' HZ3' ' HB2' ' A' ' 444' ' ' LYS . 81.0 m95 -81.13 -1.57 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.183 0.516 . . . . 15.0 110.112 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -80.53 127.87 32.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.015 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 6.8 tttm -64.19 124.8 86.64 Favored Pre-proline 0 C--O 1.236 0.395 0 CA-C-N 116.283 -0.417 . . . . 15.0 110.74 -176.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.3 Cg_exo -65.59 158.25 54.19 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.352 2.701 . . . . 15.0 113.626 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.693 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 48.7 tt0 -63.21 -39.48 94.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.169 -0.923 . . . . 15.0 111.091 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.575 ' HG2' ' HB3' ' A' ' 434' ' ' GLU . 0.0 OUTLIER -80.09 2.45 23.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.411 -0.813 . . . . 15.0 111.621 -178.218 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.458 ' HB2' ' OE2' ' A' ' 462' ' ' GLU . 15.9 tp -134.28 18.78 3.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.004 -0.544 . . . . 15.0 109.929 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 7.2 ptmm? . . . . . 0 C--O 1.252 1.226 0 CA-C-N 116.079 -0.509 . . . . 15.0 112.137 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.708 -0.557 . . . . 15.0 111.708 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -125.68 99.98 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.962 0.411 . . . . 15.0 110.843 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 11.3 m -87.61 88.88 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -104.01 89.55 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.329 0.585 . . . . 15.0 110.645 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 52.2 t -120.17 104.19 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.511 -0.768 . . . . 15.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.9 p -124.69 124.87 43.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.797 -0.638 . . . . 15.0 109.371 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.735 ' HG2' ' ND2' ' A' ' 449' ' ' ASN . 22.2 tt0 -75.34 -24.62 57.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.95 0.405 . . . . 15.0 110.914 -174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 24.8 m95 -119.26 150.48 40.03 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.056 0.931 . . . . 15.0 112.268 -177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.6 m -130.7 141.07 50.39 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 113.633 -1.621 . . . . 15.0 109.148 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.11 130.99 57.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.655 0.741 . . . . 15.0 111.507 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 445' ' ' THR . 89.9 m-85 -120.87 133.38 55.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 15.0 109.606 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.923 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 4.0 tppp? -89.91 122.25 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 15.0 109.79 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -89.94 150.67 22.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.281 -0.872 . . . . 15.0 109.859 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.75 -11.46 0.22 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.04 1.126 . . . . 15.0 114.04 -172.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.54 -1.37 30.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.296 0.569 . . . . 15.0 109.996 174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.37 26.65 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.474 -0.785 . . . . 15.0 114.895 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.923 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.1 mtmm -149.86 168.43 23.76 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 118.614 1.207 . . . . 15.0 113.846 171.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.656 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -100.33 144.14 29.69 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.278 -1.328 . . . . 15.0 112.736 -173.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 438' ' ' TYR . 43.2 p90 -119.3 141.9 48.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.597 -1.183 . . . . 15.0 108.299 173.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -98.67 125.93 44.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.477 0.656 . . . . 15.0 111.386 -172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 454' ' ' GLU . 64.9 t80 -110.32 120.44 42.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.852 -1.067 . . . . 15.0 110.846 -176.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.735 ' ND2' ' HG2' ' A' ' 434' ' ' GLU . 26.2 t-20 -90.06 126.89 35.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.45 -0.574 . . . . 15.0 109.45 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.96 -2.82 41.87 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.78 0.659 . . . . 15.0 112.78 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -91.58 -56.19 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.181 0.515 . . . . 15.0 109.822 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.0 p -88.31 -9.26 53.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.685 -0.688 . . . . 15.0 111.381 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 61.61 33.5 18.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.409 0.623 . . . . 15.0 109.735 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.728 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.6 pt-20 -93.0 130.51 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.482 -0.781 . . . . 15.0 111.179 -172.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 14.6 p -101.77 106.96 18.03 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.197 -0.91 . . . . 15.0 109.766 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.0 t -131.48 150.06 52.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.961 0.41 . . . . 15.0 110.577 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -88.33 1.33 54.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.42 127.1 32.95 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 81.2 tttt -77.15 118.37 71.48 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.202 0.525 . . . . 15.0 111.903 -171.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 1.6 Cg_endo -46.26 143.79 7.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.466 3.444 . . . . 15.0 113.963 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 24.3 tm0? -64.45 -40.68 96.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.092 -0.958 . . . . 15.0 110.909 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.7 -0.77 21.95 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.192 -0.913 . . . . 15.0 112.483 -176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.441 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 24.5 tp -139.28 17.61 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.389 . . . . 15.0 110.77 -175.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 2.6 ptmm? . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.567 -0.73 . . . . 15.0 111.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.936 -0.465 . . . . 15.0 111.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -128.37 102.62 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.808 0.337 . . . . 15.0 110.111 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' THR . . . . . . . . . . . . . 8.2 m -77.54 70.05 3.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.381 0.61 . . . . 15.0 110.33 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . -115.18 109.73 18.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.845 -0.616 . . . . 15.0 110.575 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.1 p -85.92 106.17 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.564 0.697 . . . . 15.0 110.069 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.6 p -91.15 131.59 36.6 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.452 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 10.6 tp10 -73.0 -17.91 61.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 15.0 110.042 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -101.39 150.24 23.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.971 0.891 . . . . 15.0 111.641 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.2 m -127.65 140.12 52.29 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.877 -1.51 . . . . 15.0 109.242 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.59 130.28 56.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.73 0.776 . . . . 15.0 111.581 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 445' ' ' THR . 96.4 m-85 -123.69 136.36 54.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.724 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 1.046 ' HD2' ' HA ' ' A' ' 444' ' ' LYS . 3.8 tppp? -89.87 116.71 28.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.272 -0.64 . . . . 15.0 109.272 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.9 p -89.66 150.81 22.19 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.559 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -41.43 -24.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.361 1.245 . . . . 15.0 114.361 -175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -66.17 -9.83 35.49 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.382 0.61 . . . . 15.0 110.445 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.44 28.38 17.12 Favored Glycine 0 N--CA 1.437 -1.286 0 CA-C-N 115.459 -0.791 . . . . 15.0 114.106 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 1.046 ' HA ' ' HD2' ' A' ' 439' ' ' LYS . 14.3 mtmm -153.01 172.3 17.05 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.517 1.158 . . . . 15.0 112.488 168.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.713 ' N ' ' HD3' ' A' ' 439' ' ' LYS . 1.1 p -98.26 143.09 29.12 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.307 -1.315 . . . . 15.0 112.892 -173.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -123.93 145.72 48.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.531 -1.213 . . . . 15.0 107.991 174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.526 ' CD2' ' HD3' ' A' ' 460' ' ' PRO . 55.9 m-85 -100.07 128.68 46.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.402 0.62 . . . . 15.0 111.416 -172.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -117.87 123.06 44.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.125 -0.943 . . . . 15.0 111.041 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.685 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 26.0 t-20 -90.25 126.73 35.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.79 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.439 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 42.4 m-80 -77.3 -14.67 59.7 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.201 0.815 . . . . 15.0 113.201 -171.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.452 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 42.7 mtm-85 -81.64 -63.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.228 0.537 . . . . 15.0 110.728 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.8 p -86.49 -5.23 59.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.492 -0.776 . . . . 15.0 111.453 -176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 62.61 35.33 14.39 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 15.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 12.7 pt-20 -97.22 129.68 44.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.878 -173.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.9 p -113.7 119.64 38.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -141.41 150.31 42.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 15.0 110.463 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.35 -6.75 58.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.986 0.422 . . . . 15.0 110.721 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -76.78 138.04 39.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.84 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HB2' ' NZ ' ' A' ' 459' ' ' LYS . 3.6 ttmp? -69.78 129.78 90.84 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.563 -176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.526 ' HD3' ' CD2' ' A' ' 447' ' ' TYR . 25.2 Cg_exo -61.85 147.86 94.32 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.008 2.472 . . . . 15.0 112.533 -176.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 7.4 tt0 -62.73 -23.84 67.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.572 -0.74 . . . . 15.0 111.212 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -100.01 4.18 44.64 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.491 -0.777 . . . . 15.0 111.728 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 460' ' ' PRO . 32.7 tp -123.06 2.02 9.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.235 0.54 . . . . 15.0 110.238 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 461' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.485 -0.78 . . . . 15.0 111.048 179.477 . . . . . . . . 2 2 . 1 stop_ save_