data_2mwb_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 2mwb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.9 m95 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.638 -0.875 . . . . 15.0 108.638 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 5.6 m -93.41 135.6 34.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.736 0.303 . . . . 15.0 110.902 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.8 109.86 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.434 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -120.66 115.24 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.907 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -115.0 116.84 29.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 t -90.05 149.95 22.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.094 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.06 15.01 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.806 0.692 . . . . 15.0 111.839 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.65 -13.01 61.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.488 0.661 . . . . 15.0 110.546 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 33.36 8.65 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.93 -0.653 . . . . 15.0 111.834 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -122.47 122.42 38.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.765 0.316 . . . . 15.0 110.738 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.1 p -96.57 104.61 16.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.089 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 8.6 p90 -105.02 117.48 34.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.583 0.706 . . . . 15.0 110.168 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.573 ' HA ' ' O ' ' A' ' 436' ' ' THR . 71.5 m-85 -89.92 114.19 25.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.042 -0.981 . . . . 15.0 110.417 -177.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -90.06 120.34 31.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.885 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -127.61 147.56 50.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.0 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.08 5.6 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -76.48 -42.38 43.8 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.087 0.47 . . . . 15.0 110.306 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.0 p -113.77 -0.06 14.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.478 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.39 29.46 18.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.201 0.524 . . . . 15.0 109.824 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -129.56 145.16 51.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.185 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 11.1 p -91.17 109.95 21.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.568 171.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -97.13 143.78 27.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.7 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -93.74 4.25 54.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 15.0 110.462 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.12 120.5 39.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.923 -0.581 . . . . 15.0 109.538 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -61.22 119.93 50.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.28 125.99 19.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.176 2.584 . . . . 15.0 113.051 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.3 -12.15 61.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.831 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.841 0.353 . . . . 15.0 110.869 178.285 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.744 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 13.8 m95 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -91.13 112.82 24.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.0 0.429 . . . . 15.0 111.276 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.8 pt-20 -90.0 106.14 18.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.503 0.668 . . . . 15.0 111.779 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.41 117.8 31.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.587 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.59 118.1 31.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.197 0.522 . . . . 15.0 110.385 -177.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.1 t -104.28 150.25 24.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.608 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.88 -4.91 10.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.21 0.528 . . . . 15.0 110.795 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -71.65 -5.67 35.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.102 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.73 10.46 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 115.892 -0.595 . . . . 15.0 111.838 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.668 ' HD3' ' HE2' ' A' ' 457' ' ' PHE . 80.1 mttt -139.04 135.23 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.91 0.385 . . . . 15.0 111.585 -172.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 439' ' ' LYS . 3.4 p -109.89 92.67 4.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.646 170.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 47.5 p90 -92.41 122.59 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.393 0.615 . . . . 15.0 110.949 -177.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 8.7 m-85 -92.48 111.97 23.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.009 -0.996 . . . . 15.0 110.08 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -90.05 125.79 35.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 451' ' ' ARG . 28.7 p-10 -121.66 148.41 44.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.972 -178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -83.63 -9.08 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.069 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.57 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 20.1 ttm180 -70.36 -40.93 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.543 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 1.2 m -117.59 -2.14 11.52 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.993 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.9 mt 56.67 32.88 21.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.076 0.465 . . . . 15.0 110.304 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 56.5 mm-40 -129.76 149.94 51.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 15.0 112.118 -170.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.495 ' HB3' ' HB2' ' A' ' 446' ' ' TYR . 16.5 m -99.47 109.13 21.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.4 171.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.1 t -91.7 137.79 32.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.887 0.375 . . . . 15.0 110.675 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.668 ' HE2' ' HD3' ' A' ' 444' ' ' LYS . 87.9 m-85 -90.09 -2.94 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.23 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.16 140.29 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.32 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -74.16 114.96 38.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.433 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.7 150.4 62.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.685 2.923 . . . . 15.0 114.194 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -79.32 -16.94 55.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.15 -0.932 . . . . 15.0 111.376 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.744 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.7 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 15.0 110.988 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 15.4 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.119 -0.697 . . . . 15.0 109.119 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.2 t -111.98 121.41 44.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.169 0.509 . . . . 15.0 110.044 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 1.2 pm0 -94.5 119.79 33.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 15.0 111.379 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.07 129.09 54.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.456 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -100.86 123.64 45.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.937 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.412 HG21 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -90.17 148.78 22.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -18.29 43.55 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.531 0.519 . . . . 15.0 111.67 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.02 -13.13 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.816 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 38.54 6.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.907 -0.663 . . . . 15.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.412 ' O ' HG21 ' A' ' 440' ' ' THR . 29.8 mtmm -132.82 124.89 28.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.857 0.36 . . . . 15.0 110.677 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.0 m -94.89 106.59 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.024 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 42.1 p90 -96.79 119.89 36.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.371 0.605 . . . . 15.0 110.275 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 42.2 m-85 -92.62 113.4 25.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.238 -0.892 . . . . 15.0 110.026 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.93 117.37 28.69 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.57 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 8.4 p30 -123.25 143.42 50.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.349 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.496 ' HA ' HD12 ' A' ' 453' ' ' LEU . 2.8 p-10 -83.56 5.69 23.25 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.628 175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.7 ttm180 -61.18 -55.88 27.15 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 173.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -114.5 0.27 13.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.883 -0.599 . . . . 15.0 112.054 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mm? 65.16 29.19 12.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.489 0.661 . . . . 15.0 109.642 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -127.77 143.07 51.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.985 -1.007 . . . . 15.0 109.743 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.444 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 11.4 t -90.4 120.99 31.98 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.921 -0.4 . . . . 15.0 109.921 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -120.5 146.67 46.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.243 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -90.3 4.69 50.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 15.0 111.215 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.83 144.53 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.754 -0.462 . . . . 15.0 109.754 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.91 112.46 52.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.77 145.2 97.41 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.507 2.804 . . . . 15.0 112.942 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -108.09 -7.56 16.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.426 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.965 177.458 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.7 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 33.3 m95 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 109.937 -0.394 . . . . 15.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.4 p -102.24 130.06 48.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 46.8 mt-10 -89.9 115.17 27.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.688 0.28 . . . . 15.0 111.234 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.22 110.46 21.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.594 ' HB3' HG23 ' A' ' 445' ' ' THR . 24.9 pttm -109.86 117.13 33.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.427 0.632 . . . . 15.0 111.447 -173.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.528 ' CG2' ' HB2' ' A' ' 444' ' ' LYS . 5.7 t -101.12 150.17 23.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.298 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.52 -6.41 7.4 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.069 0.396 . . . . 15.0 112.069 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.55 -3.06 25.48 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.408 0.623 . . . . 15.0 110.327 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 23.06 37.63 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.516 -0.634 . . . . 15.0 111.516 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.528 ' HB2' ' CG2' ' A' ' 440' ' ' THR . 44.0 mmtm -116.97 120.93 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.998 0.428 . . . . 15.0 110.899 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 439' ' ' LYS . 13.1 p -105.08 94.92 5.5 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.232 -0.655 . . . . 15.0 109.232 170.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.504 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 28.6 p90 -97.37 119.3 35.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.634 0.731 . . . . 15.0 110.438 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 8.9 m-85 -89.77 118.36 29.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.851 -1.068 . . . . 15.0 110.437 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -90.13 112.71 24.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 10.1 p30 -114.46 144.07 43.93 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.646 -0.707 . . . . 15.0 110.749 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.554 ' HA ' HD13 ' A' ' 453' ' ' LEU . 9.6 p30 -85.05 3.76 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.792 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.446 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 14.5 ttt180 -67.24 -59.76 3.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.303 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.8 p -112.88 0.51 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.73 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.5 mm? 63.25 57.79 1.5 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.132 0.491 . . . . 15.0 110.999 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.07 150.21 31.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.816 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.504 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 15.6 m -95.27 104.47 16.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.597 -0.52 . . . . 15.0 109.597 173.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -108.72 150.06 28.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.819 0.342 . . . . 15.0 110.916 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -87.96 1.06 55.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.388 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.579 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 11.4 pt-20 -84.23 139.39 32.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.384 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -96.05 100.33 6.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.579 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 6.0 Cg_exo -79.43 139.02 14.25 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.649 2.232 . . . . 15.0 112.5 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.67 4.0 4.45 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.748 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.7 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.6 mm-40 . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.228 0.537 . . . . 15.0 109.921 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 28.2 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.792 -0.447 . . . . 15.0 109.792 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 29.1 m -101.88 124.18 47.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 15.0 110.412 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.662 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.6 pt-20 -89.83 128.55 36.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.125 0.488 . . . . 15.0 111.473 -175.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.17 115.23 23.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -97.51 120.51 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.392 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.465 HG23 ' HB3' ' A' ' 442' ' ' ASP . 4.0 t -96.93 150.08 21.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.972 177.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.77 -6.09 2.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.465 ' HB3' HG23 ' A' ' 440' ' ' THR . 18.3 t70 -64.67 -16.44 62.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.188 0.518 . . . . 15.0 110.513 173.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.96 18.94 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.183 -1.167 . . . . 15.0 110.183 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.509 ' HB2' ' HZ3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -125.04 131.91 53.29 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.765 -0.717 . . . . 15.0 110.327 -173.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.6 p -114.14 99.23 7.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.418 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -96.97 129.59 44.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 15.0 110.036 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.662 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 49.2 m-85 -96.9 117.16 30.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.832 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.75 122.78 33.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.406 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' A' ' 452' ' ' THR . 9.3 p30 -133.54 143.49 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.624 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -83.99 -1.98 55.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -67.44 -52.13 43.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 15.0 110.307 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 454' ' ' GLU . 12.4 t -106.16 -0.11 24.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 62.74 30.78 16.8 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.893 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.549 ' HB3' HG23 ' A' ' 452' ' ' THR . 36.8 tt0 -147.13 149.91 33.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.549 -0.296 . . . . 15.0 110.764 -172.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.0 m -89.81 113.15 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.002 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -98.92 147.36 25.05 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.498 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -94.14 0.67 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 15.0 109.953 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -107.32 121.87 45.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.258 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.36 117.47 66.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.995 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.61 150.28 11.48 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.846 2.364 . . . . 15.0 112.007 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.33 3.34 7.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.402 0.62 . . . . 15.0 110.751 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 15.0 110.25 175.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 57.9 m95 . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.172 -0.307 . . . . 15.0 110.172 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.462 ' OG1' ' HB3' ' A' ' 448' ' ' TYR . 21.8 p -100.27 109.05 21.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.83 106.16 18.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.464 0.65 . . . . 15.0 110.887 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.433 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 93.1 m-85 -104.21 111.68 24.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.116 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -96.47 105.27 17.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.829 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.515 ' CG2' ' HG2' ' A' ' 444' ' ' LYS . 8.7 t -97.47 145.46 26.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.196 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.11 -1.39 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.435 ' HB3' ' HD3' ' A' ' 444' ' ' LYS . 21.3 t0 -73.55 -2.1 21.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.476 0.655 . . . . 15.0 109.812 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 34.58 7.99 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.628 -0.714 . . . . 15.0 112.388 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.515 ' HG2' ' CG2' ' A' ' 440' ' ' THR . 0.0 OUTLIER -150.08 136.15 18.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 15.0 111.601 178.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.9 p -100.05 108.21 20.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.892 -0.595 . . . . 15.0 109.756 170.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 34.4 p90 -101.93 118.67 37.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.667 0.746 . . . . 15.0 110.474 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -96.32 111.67 23.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.927 -1.033 . . . . 15.0 109.679 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.462 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 67.0 t80 -89.85 119.85 30.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.013 0.435 . . . . 15.0 110.137 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.517 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -123.86 144.24 49.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.776 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -84.26 4.47 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.188 -0.915 . . . . 15.0 110.0 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -69.3 -51.63 35.3 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.859 0.361 . . . . 15.0 110.04 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.597 HG21 ' HB2' ' A' ' 454' ' ' GLU . 13.6 t -110.2 -0.05 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.937 175.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.05 30.83 9.36 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.05 0.452 . . . . 15.0 110.461 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.597 ' HB2' HG21 ' A' ' 452' ' ' THR . 49.7 mt-10 -138.0 150.11 46.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.622 -173.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 20.4 t -95.23 118.36 31.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.734 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -111.82 144.47 41.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.34 -2.23 58.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 15.0 110.613 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.55 135.61 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.002 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.7 111.07 22.92 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.9 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.38 133.36 57.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.408 2.739 . . . . 15.0 113.367 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -76.77 -20.84 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 15.0 110.172 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.225 -178.244 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 35.0 m95 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.869 0.366 . . . . 15.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 14.1 m -107.63 114.76 28.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.201 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.1 pt-20 -89.92 130.04 36.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 15.0 112.276 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.42 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 89.8 m-85 -127.01 128.21 46.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.23 172.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.669 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -103.06 123.59 46.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.167 0.508 . . . . 15.0 111.088 177.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 444' ' ' LYS . 10.1 t -90.04 150.35 22.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -11.55 6.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.275 -0.42 . . . . 15.0 112.044 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.4 -12.46 60.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.372 0.606 . . . . 15.0 110.38 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 30.35 13.0 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HE2' ' CD2' ' A' ' 457' ' ' PHE . 80.5 tttt -131.82 128.17 38.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.91 0.386 . . . . 15.0 110.132 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.668 HG23 ' HB3' ' A' ' 439' ' ' LYS . 9.2 p -101.31 125.96 48.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.226 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.469 ' HB3' ' CD2' ' A' ' 457' ' ' PHE . 50.6 p90 -121.69 132.2 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 15.0 110.748 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 18.3 m-85 -98.91 112.79 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.476 -0.783 . . . . 15.0 110.051 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.87 119.22 30.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.703 HD22 HG22 ' A' ' 452' ' ' THR . 6.1 p-10 -118.4 133.52 55.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.408 0.623 . . . . 15.0 111.568 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.88 -3.4 31.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.901 -1.045 . . . . 15.0 110.594 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.605 ' HB3' HD21 ' A' ' 449' ' ' ASN . 45.0 ttm180 -60.07 -52.16 66.53 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.148 0.499 . . . . 15.0 110.383 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.878 HG21 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -118.33 0.4 11.67 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.877 -0.601 . . . . 15.0 112.127 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.7 mp 64.87 39.48 5.97 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.313 0.577 . . . . 15.0 110.749 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.878 ' HB2' HG21 ' A' ' 452' ' ' THR . 0.1 OUTLIER -128.29 150.09 50.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.829 . . . . 15.0 109.824 -176.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.6 m -103.19 108.3 19.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.7 t -96.54 122.85 39.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.269 0.557 . . . . 15.0 110.783 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 444' ' ' LYS . 91.9 m-85 -82.7 -3.23 56.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.431 0.634 . . . . 15.0 109.667 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -99.49 122.84 43.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.093 -0.958 . . . . 15.0 109.201 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.65 117.85 59.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.209 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -71.87 138.21 31.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.656 2.237 . . . . 15.0 111.754 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -7.45 56.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.839 -174.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 111.77 0.285 . . . . 15.0 111.77 -177.218 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.693 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 19.3 m95 . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 448' ' ' TYR . 11.3 t -99.66 120.33 39.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 15.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.538 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.1 pt-20 -95.03 117.92 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.495 0.664 . . . . 15.0 111.788 -176.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -112.91 115.02 27.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.868 . . . . 15.0 108.788 172.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -101.73 126.36 48.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.497 0.665 . . . . 15.0 111.524 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -94.41 149.77 20.92 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.385 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 -7.9 11.41 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.208 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.66 -15.01 62.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.29 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.11 7.74 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.616 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -133.09 128.34 35.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 15.0 110.685 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.6 m -103.78 98.87 8.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 15.0 109.956 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.544 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 38.8 p90 -95.96 122.8 39.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.718 0.771 . . . . 15.0 110.784 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 22.6 m-85 -89.85 122.03 32.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.796 -1.093 . . . . 15.0 109.407 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 436' ' ' THR . 20.4 t80 -90.25 107.77 19.35 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.94 -0.763 . . . . 15.0 108.94 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -117.35 124.55 49.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.544 -0.753 . . . . 15.0 111.092 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -75.31 -5.95 47.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -60.02 -50.09 75.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.747 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.487 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.1 OUTLIER -113.93 0.18 14.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.791 -0.641 . . . . 15.0 112.169 175.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.4 mt 65.27 28.17 12.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.725 0.41 . . . . 15.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.487 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 0.3 OUTLIER -138.36 150.2 46.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.295 -175.467 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.8 m -90.74 114.66 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 15.0 111.305 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.6 t -98.33 145.52 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.478 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 99.2 m-85 -97.68 3.97 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.478 . . . . 15.0 110.241 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -101.56 123.71 46.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.004 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -61.96 113.69 9.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.109 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.22 141.4 6.96 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.179 2.586 . . . . 15.0 112.626 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -83.07 2.71 33.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.77 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.693 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 4.4 mm-40 . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 15.0 110.228 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.529 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 69.6 m95 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -95.7 118.74 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.92 0.391 . . . . 15.0 110.423 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.13 108.6 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.687 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -107.55 110.62 22.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.223 -0.658 . . . . 15.0 109.223 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -105.31 125.1 50.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.237 0.541 . . . . 15.0 110.53 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -108.04 150.36 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.94 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.49 -5.2 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -71.01 -9.12 57.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.44 0.638 . . . . 15.0 110.355 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 34.21 8.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.803 -0.713 . . . . 15.0 111.664 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -131.68 126.83 35.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.755 0.312 . . . . 15.0 111.094 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 48.1 p -108.69 100.44 9.68 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 171.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -100.62 114.37 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.725 0.774 . . . . 15.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -96.08 118.94 33.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.467 -1.242 . . . . 15.0 109.632 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -89.93 121.35 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.191 0.52 . . . . 15.0 109.611 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.529 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -125.72 141.43 52.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.825 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.508 ' HA ' HD12 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -80.53 3.12 22.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.569 175.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.0 -50.87 25.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 121.166 0.507 . . . . 15.0 110.051 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -108.75 -0.21 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.218 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mm? 60.18 26.9 16.34 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.525 0.678 . . . . 15.0 109.927 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -123.61 145.34 48.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.781 -1.1 . . . . 15.0 110.96 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 t -91.63 106.93 18.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 t -101.9 133.11 47.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 15.0 111.1 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -83.24 3.18 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.967 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -101.73 145.09 29.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -80.62 116.32 61.27 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.597 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.95 130.91 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.568 2.179 . . . . 15.0 112.195 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -77.98 -15.82 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.344 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.768 178.12 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 22.2 m95 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 m -89.68 115.94 27.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.959 0.409 . . . . 15.0 110.824 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.23 121.15 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.668 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.412 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 86.5 m-85 -110.55 110.2 20.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 15.0 109.54 172.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.645 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 4.6 ttmp? -92.21 111.08 22.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.478 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 444' ' ' LYS . 9.1 t -93.88 146.96 23.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.285 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.3 -1.64 2.51 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.795 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.48 -11.12 60.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.495 0.664 . . . . 15.0 109.73 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.79 8.58 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.662 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.454 ' O ' HG21 ' A' ' 440' ' ' THR . 29.1 mtmm -138.1 127.39 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.403 . . . . 15.0 111.203 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 p -98.98 106.69 18.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.288 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.501 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 52.3 p90 -103.18 123.98 47.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.478 0.656 . . . . 15.0 110.744 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.14 110.58 21.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.159 -0.928 . . . . 15.0 109.443 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -90.21 126.81 35.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.301 0.572 . . . . 15.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -129.85 141.66 50.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.334 -0.848 . . . . 15.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -87.98 5.92 38.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.367 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -68.62 -54.91 13.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.308 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.733 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.8 m -105.46 -0.52 25.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.136 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.4 mp 62.88 31.98 16.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.405 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.733 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 15.6 pt-20 -134.81 149.83 50.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.319 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.7 p -94.79 109.66 21.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.191 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.7 t -101.45 139.37 37.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.169 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 94.0 m-85 -90.58 0.33 57.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.066 0.46 . . . . 15.0 110.619 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.51 135.62 39.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.753 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -77.29 121.68 84.92 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.23 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.87 148.96 35.55 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.403 2.736 . . . . 15.0 113.123 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -91.77 -16.57 26.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.629 . . . . 15.0 110.339 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.607 179.03 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.594 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.8 m95 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.836 0.35 . . . . 15.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 22.8 p -106.74 134.13 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.818 175.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 13.0 pt-20 -91.01 101.53 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.538 0.685 . . . . 15.0 111.181 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -107.89 96.24 6.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.427 0.632 . . . . 15.0 109.934 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.748 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -99.25 107.46 19.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.741 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.498 HG21 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -95.73 146.47 24.49 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.515 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.88 1.97 2.29 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.483 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.1 -10.08 57.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.649 0.738 . . . . 15.0 109.378 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 30.97 11.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.186 -0.915 . . . . 15.0 112.261 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.509 ' HD2' ' CE1' ' A' ' 457' ' ' PHE . 14.6 pttm -150.04 137.11 19.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 15.0 111.119 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.1 m -101.22 123.03 44.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 32.5 p90 -113.43 117.49 31.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.708 0.766 . . . . 15.0 110.467 175.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 436' ' ' THR . 42.6 m-85 -90.12 113.42 25.17 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.802 -1.09 . . . . 15.0 109.203 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -90.27 118.37 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 15.0 110.209 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.594 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 33.5 p-10 -112.32 137.57 50.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 15.0 111.286 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.98 1.23 18.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.057 172.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.589 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 41.8 ttm180 -71.4 -51.2 25.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.445 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.7 p -115.78 0.33 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 15.0 112.225 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.2 mp 64.78 32.08 11.31 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.511 0.672 . . . . 15.0 109.621 -175.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.802 -1.09 . . . . 15.0 111.078 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -105.2 93.38 4.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 169.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -95.15 141.91 28.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.95 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.509 ' CE1' ' HD2' ' A' ' 444' ' ' LYS . 83.5 m-85 -91.26 8.35 36.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 15.0 110.424 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -102.18 135.73 43.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.726 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -71.97 118.85 70.65 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.968 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.93 136.67 53.99 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.02 2.48 . . . . 15.0 112.298 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.39 -20.19 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.212 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.939 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.923 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 42.1 m95 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 108.887 -0.783 . . . . 15.0 108.887 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 4.6 m -97.48 128.06 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.895 -0.322 . . . . 15.0 110.384 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.82 107.19 18.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.817 0.341 . . . . 15.0 111.214 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -109.94 121.29 44.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 174.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.499 ' HB3' HG23 ' A' ' 445' ' ' THR . 14.4 pttm -120.34 119.68 33.82 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.274 -174.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 444' ' ' LYS . 6.1 t -89.97 150.26 22.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.963 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.07 -0.71 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.3 0.482 . . . . 15.0 112.3 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.29 -8.5 57.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.384 0.612 . . . . 15.0 110.024 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 37.79 6.65 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.325 -0.71 . . . . 15.0 111.325 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.415 ' HB2' HG21 ' A' ' 440' ' ' THR . 22.1 mtpp -124.64 118.12 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 439' ' ' LYS . 1.3 p -98.92 104.62 16.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.688 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -113.06 120.66 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 15.0 110.754 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.467 ' HA ' ' O ' ' A' ' 436' ' ' THR . 49.4 m-85 -90.42 116.28 28.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.029 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.505 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 88.6 t80 -91.31 125.06 35.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.663 -0.699 . . . . 15.0 109.873 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.674 HD22 HG22 ' A' ' 452' ' ' THR . 36.0 p-10 -117.12 138.74 51.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.324 0.583 . . . . 15.0 111.091 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.96 -4.36 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 15.0 109.633 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 35.3 mtp180 -66.46 -54.2 26.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.731 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.674 HG22 HD22 ' A' ' 449' ' ' ASN . 15.3 t -114.11 0.04 14.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.786 0.291 . . . . 15.0 111.786 174.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 67.43 36.11 3.98 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.817 0.447 . . . . 15.0 110.784 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.518 ' HB2' HG21 ' A' ' 452' ' ' THR . 52.2 mt-10 -138.14 150.07 46.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 15.0 111.319 -173.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.505 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 20.2 m -102.78 120.11 40.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.821 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 9.8 t -115.04 145.87 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.3 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -88.53 0.03 56.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 15.0 111.455 -174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.503 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 13.2 pt-20 -100.82 150.01 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.88 110.11 37.41 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.342 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.503 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 4.5 Cg_exo -79.49 140.42 15.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.896 2.398 . . . . 15.0 111.873 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -79.74 7.01 9.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.217 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.923 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 16.9 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.945 0.402 . . . . 15.0 110.87 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 25.9 m95 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 46.0 p -90.5 132.2 35.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.874 0.369 . . . . 15.0 110.395 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -93.99 108.34 20.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.074 0.464 . . . . 15.0 110.474 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -126.32 119.44 27.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.73 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.51 ' HB3' HG22 ' A' ' 445' ' ' THR . 18.4 pttm -119.36 131.12 55.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.139 0.495 . . . . 15.0 111.531 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.2 t -100.19 149.06 23.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.724 175.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.68 8.93 0.42 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.447 0.536 . . . . 15.0 112.447 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.44 -3.37 52.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.571 . . . . 15.0 109.64 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 27.73 20.07 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.865 -0.683 . . . . 15.0 111.678 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.406 ' HE2' ' CE2' ' A' ' 457' ' ' PHE . 55.8 mtpt -134.81 124.34 24.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.704 0.288 . . . . 15.0 110.917 -175.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 439' ' ' LYS . 4.5 m -103.45 119.1 38.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.276 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.698 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 23.4 p90 -110.31 115.78 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.694 0.759 . . . . 15.0 110.633 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 436' ' ' THR . 82.8 m-85 -90.35 112.25 23.76 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.025 -0.988 . . . . 15.0 109.88 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -90.17 120.84 31.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.507 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.51 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 36.8 p-10 -111.16 144.11 40.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.884 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.476 ' HA ' HD21 ' A' ' 453' ' ' LEU . 28.9 p30 -82.54 -3.68 56.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.522 172.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.425 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 33.3 ttm180 -71.04 -62.81 1.26 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.672 -0.695 . . . . 15.0 110.69 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.412 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 14.0 p -104.54 0.2 28.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 15.0 110.912 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 450' ' ' ASN . 96.1 mt 61.07 58.92 2.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.903 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.16 150.07 31.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.213 0.53 . . . . 15.0 111.353 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.698 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.9 p -97.55 100.69 12.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 173.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.8 t -94.7 133.31 38.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 110.445 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 445' ' ' THR . 96.0 m-85 -84.55 -1.14 55.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.996 0.427 . . . . 15.0 111.033 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -96.45 125.04 40.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.615 ' HB3' ' HZ1' ' A' ' 459' ' ' LYS . 9.5 mtpm? -60.39 117.85 28.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 15.0 111.691 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.44 123.95 13.35 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.764 2.31 . . . . 15.0 111.761 176.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -74.04 -8.51 56.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 15.0 111.397 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.711 0.291 . . . . 15.0 111.282 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.626 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.9 m95 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.866 -0.79 . . . . 15.0 108.866 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -89.94 123.45 33.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.846 0.355 . . . . 15.0 111.004 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 34.3 mt-10 -89.98 115.59 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.929 -175.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -121.89 121.99 38.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.33 -0.396 . . . . 15.0 110.915 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.519 ' HD3' HG22 ' A' ' 445' ' ' THR . 21.5 tptm -95.34 109.28 21.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 174.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.1 t -92.58 148.65 21.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.828 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.23 1.18 1.65 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.237 0.541 . . . . 15.0 111.079 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.5 -7.7 49.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.436 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 26.47 23.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.376 -0.829 . . . . 15.0 112.339 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -145.98 139.09 25.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 15.0 111.591 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.519 HG22 ' HD3' ' A' ' 439' ' ' LYS . 3.7 p -92.93 114.66 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.18 173.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -107.77 135.0 49.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.41 0.624 . . . . 15.0 110.209 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 5.6 m-85 -99.89 115.19 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.24 -0.891 . . . . 15.0 109.999 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -90.03 121.83 32.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.26 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.626 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 3.5 p-10 -120.76 137.56 54.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.139 0.495 . . . . 15.0 111.356 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.467 ' HA ' HD22 ' A' ' 453' ' ' LEU . 29.5 p-10 -80.83 -3.21 50.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.342 -0.844 . . . . 15.0 110.175 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.93 -57.77 11.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.556 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.446 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 17.1 p -114.89 0.18 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.683 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 450' ' ' ASN . 93.9 mt 61.96 55.78 2.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.464 0.65 . . . . 15.0 110.629 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -138.78 150.15 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.2 -0.909 . . . . 15.0 110.278 -176.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.6 m -98.93 106.51 18.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.8 t -99.73 150.11 22.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.76 -176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -100.33 5.01 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.02 0.438 . . . . 15.0 110.888 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.454 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 140.55 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.679 -0.489 . . . . 15.0 109.679 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.85 108.28 8.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.627 -0.26 . . . . 15.0 110.642 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.1 Cg_exo -64.68 137.3 53.6 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.933 2.422 . . . . 15.0 112.959 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -91.62 -9.52 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.623 0.725 . . . . 15.0 109.764 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.737 174.589 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 41.2 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.199 -0.667 . . . . 15.0 109.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 1.7 m -90.18 136.97 32.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.392 . . . . 15.0 111.459 -173.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -90.0 106.87 18.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.768 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -126.57 115.82 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 15.0 110.642 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -109.84 127.31 54.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.55 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -96.13 144.03 26.73 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 110.098 -0.334 . . . . 15.0 110.098 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.45 -5.56 5.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.585 -0.734 . . . . 15.0 111.551 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.92 -9.71 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.242 0.544 . . . . 15.0 110.469 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 36.52 7.09 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.936 -0.575 . . . . 15.0 112.297 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.01 138.72 20.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.066 0.46 . . . . 15.0 110.861 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.9 m -98.41 136.37 38.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.666 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.454 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 23.1 p90 -127.38 120.88 29.48 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.768 0.794 . . . . 15.0 110.071 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.5 m-85 -93.3 111.12 22.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.182 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -93.63 124.6 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.271 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -121.1 139.47 53.29 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.059 0.457 . . . . 15.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 453' ' ' LEU . 30.2 p-10 -83.63 2.05 39.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.095 -0.957 . . . . 15.0 110.121 177.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.81 -62.53 1.8 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.309 0.576 . . . . 15.0 109.954 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.53 HG21 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -111.02 0.53 16.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.392 -0.822 . . . . 15.0 111.235 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 450' ' ' ASN . 89.9 mt 68.93 35.38 2.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.353 0.597 . . . . 15.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' A' ' 452' ' ' THR . 43.7 mt-10 -126.99 149.93 49.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.318 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.454 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 27.9 t -105.36 117.67 34.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.903 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.2 t -104.25 133.77 48.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.663 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.62 -0.4 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.283 0.563 . . . . 15.0 109.956 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -110.17 140.31 44.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.333 -0.849 . . . . 15.0 109.706 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -74.96 120.83 83.53 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.853 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.57 147.12 35.47 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.879 2.386 . . . . 15.0 112.231 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -70.42 -10.66 59.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.508 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 121.037 -0.265 . . . . 15.0 111.232 176.134 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.451 ' CE3' ' HG2' ' A' ' 460' ' ' PRO . 23.4 m95 . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.9 p -101.64 114.04 27.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.492 -0.322 . . . . 15.0 110.53 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.662 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.3 pt-20 -89.94 122.04 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.392 0.615 . . . . 15.0 110.952 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -106.22 120.4 41.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.443 -0.799 . . . . 15.0 109.368 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 445' ' ' THR . 0.2 OUTLIER -94.2 114.95 27.16 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.454 -0.793 . . . . 15.0 110.548 -174.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -92.82 143.93 25.78 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -13.92 25.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.984 -0.553 . . . . 15.0 111.527 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.66 -13.59 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.694 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 37.66 6.63 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.862 -0.608 . . . . 15.0 111.904 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.519 ' O ' HG21 ' A' ' 440' ' ' THR . 29.0 mtmm -132.87 141.43 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.562 HG22 ' HG2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -122.74 113.68 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.084 -0.339 . . . . 15.0 110.084 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 51.4 p90 -105.75 126.02 51.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 15.0 110.433 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.662 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 52.8 m-85 -90.41 112.4 23.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.178 -0.919 . . . . 15.0 110.031 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.98 117.7 28.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.548 . . . . 15.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.643 HD21 ' HB3' ' A' ' 451' ' ' ARG . 5.3 p-10 -135.17 141.71 45.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.375 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -89.99 -3.81 57.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.052 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.643 ' HB3' HD21 ' A' ' 449' ' ' ASN . 66.8 ttt180 -59.92 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.3 173.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.564 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 5.1 p -108.12 -0.02 21.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.632 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.47 27.14 13.5 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.777 0.431 . . . . 15.0 111.176 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.564 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.4 pt-20 -127.26 150.1 49.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.921 0.391 . . . . 15.0 110.955 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.455 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 20.4 m -96.64 100.43 11.99 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 169.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -90.1 126.15 35.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 15.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -80.69 -6.88 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.522 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -99.01 131.5 45.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.352 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -70.16 117.14 51.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 O-C-N 123.236 0.335 . . . . 15.0 111.672 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HG2' ' CE3' ' A' ' 435' ' ' TRP . 24.1 Cg_exo -65.33 139.24 58.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.851 2.368 . . . . 15.0 112.102 175.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.12 -12.14 61.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.348 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.457 176.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.431 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 46.2 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 m -90.02 116.1 27.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.921 0.391 . . . . 15.0 110.761 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.614 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.5 pt-20 -89.8 126.36 35.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.261 0.553 . . . . 15.0 111.177 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.87 109.53 19.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.3 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.566 ' HB3' HG23 ' A' ' 445' ' ' THR . 5.8 ptpp? -90.22 107.69 19.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.378 0.609 . . . . 15.0 110.063 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -93.98 142.87 26.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.943 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.32 3.73 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.42 -4.29 14.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.97 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.97 15.9 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 115.54 -0.754 . . . . 15.0 112.799 173.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.709 ' HD2' ' CE2' ' A' ' 457' ' ' PHE . 14.0 pttp -150.31 136.93 19.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.349 0.595 . . . . 15.0 112.451 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.566 HG23 ' HB3' ' A' ' 439' ' ' LYS . 20.2 p -98.95 110.57 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.853 . . . . 15.0 109.955 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -109.98 129.96 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.405 0.622 . . . . 15.0 110.753 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 10.9 m-85 -95.8 117.27 30.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.972 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -99.23 127.81 45.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.599 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.523 HD21 ' HB2' ' A' ' 451' ' ' ARG . 29.6 p-10 -122.64 143.64 49.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.32 0.581 . . . . 15.0 111.133 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.57 2.57 32.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.32 173.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.523 ' HB2' HD21 ' A' ' 449' ' ' ASN . 85.5 mtt180 -74.53 -45.36 46.21 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.463 -0.335 . . . . 15.0 111.143 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.2 p -116.56 0.23 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.527 0.566 . . . . 15.0 112.527 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 56.79 48.64 15.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.307 0.575 . . . . 15.0 110.153 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.78 150.03 36.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.822 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.0 p -99.44 109.28 21.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.723 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.6 t -99.89 139.65 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 15.0 110.128 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . 0.709 ' CE2' ' HD2' ' A' ' 444' ' ' LYS . 94.1 m-85 -93.46 1.04 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.25 0.548 . . . . 15.0 110.228 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.5 mp0 -92.8 132.75 36.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.215 174.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -77.45 110.29 12.1 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.655 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 27.8 Cg_exo -62.25 126.0 17.6 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.005 2.47 . . . . 15.0 112.512 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -85.2 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.696 -177.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m95 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -89.69 108.61 19.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.146 0.498 . . . . 15.0 110.828 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.0 pt-20 -92.72 126.73 37.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.499 -176.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 85.2 m-85 -123.08 130.28 52.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 173.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 445' ' ' THR . 20.2 pttp -102.34 117.2 34.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.354 0.597 . . . . 15.0 110.936 178.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -89.7 150.07 22.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.568 -0.742 . . . . 15.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.99 -9.58 3.24 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.838 0.711 . . . . 15.0 111.758 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.24 -10.32 58.55 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.443 0.639 . . . . 15.0 110.013 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 34.75 7.9 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.732 175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -143.94 135.06 25.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.922 0.391 . . . . 15.0 111.515 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.616 HG23 ' HB3' ' A' ' 439' ' ' LYS . 4.7 p -98.17 119.52 36.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.977 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 46.6 p90 -111.38 124.53 52.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 15.0 110.454 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 14.8 m-85 -95.31 116.92 29.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.254 -0.884 . . . . 15.0 109.576 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -89.75 119.7 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.497 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 31.9 p-10 -114.01 136.26 53.1 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 15.0 110.958 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -74.01 -8.17 55.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.894 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.453 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 39.1 ttm180 -71.23 -46.88 60.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.878 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -111.58 -2.86 15.3 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.689 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mp 59.03 31.5 21.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.189 0.519 . . . . 15.0 109.745 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -132.86 150.24 52.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.635 -0.711 . . . . 15.0 111.058 -168.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -93.99 100.4 12.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.3 t -94.98 144.09 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 15.0 111.055 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -98.97 2.87 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.661 0.744 . . . . 15.0 109.822 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -95.88 121.52 37.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.103 -0.953 . . . . 15.0 110.011 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.841 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.3 mtpm? -64.16 120.38 63.91 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 15.0 110.655 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.435 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 60.0 Cg_endo -80.02 139.74 13.77 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.695 2.264 . . . . 15.0 111.982 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -71.38 -11.75 61.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 15.0 111.226 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.421 ' HG2' HH22 ' A' ' 451' ' ' ARG . 58.1 mp0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.12 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 22.0 m95 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.94 121.31 31.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.668 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 123.0 33.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.177 0.513 . . . . 15.0 111.261 -175.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.73 121.96 36.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.371 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -108.27 117.3 33.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.593 0.711 . . . . 15.0 110.854 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.455 HG21 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -89.92 149.5 22.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.411 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -7.26 6.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.393 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.79 -13.98 62.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 15.0 110.143 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 34.82 7.73 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.702 -0.681 . . . . 15.0 112.029 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.455 ' O ' HG21 ' A' ' 440' ' ' THR . 29.6 mtmm -132.07 129.45 39.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.282 . . . . 15.0 110.855 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.7 m -101.75 105.59 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.26 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.705 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.4 p90 -106.49 123.27 47.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.394 0.616 . . . . 15.0 110.756 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.18 117.14 28.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.281 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 15.0 109.84 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.642 HD21 ' HB2' ' A' ' 451' ' ' ARG . 5.3 p-10 -123.7 130.85 53.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 15.0 110.736 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.25 -8.71 57.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.919 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.642 ' HB2' HD21 ' A' ' 449' ' ' ASN . 41.5 mtp180 -60.13 -45.18 93.88 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.038 0.447 . . . . 15.0 110.881 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -6.04 15.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.35 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 58.2 29.29 17.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.468 0.651 . . . . 15.0 109.38 -169.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -130.66 150.22 51.95 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.376 -0.829 . . . . 15.0 110.38 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.6 p -95.35 113.6 25.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.504 176.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -97.84 130.16 44.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 15.0 110.551 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -86.13 6.44 29.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 15.0 110.327 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.28 125.21 50.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.333 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.63 116.52 18.58 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-O 120.972 0.415 . . . . 15.0 111.457 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -89.33 135.71 2.68 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.283 2.656 . . . . 15.0 112.056 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.54 3.45 40.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.435 -0.348 . . . . 15.0 111.675 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.436 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 19.6 mm-40 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 120.796 0.331 . . . . 15.0 110.496 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.9 m -99.31 121.94 41.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.79 0.329 . . . . 15.0 110.567 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 84.9 tt0 -91.95 122.0 34.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.665 -173.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -118.51 126.63 52.44 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 172.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.83 122.01 42.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 15.0 110.734 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 444' ' ' LYS . 9.9 t -90.59 150.07 21.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.2 -0.33 3.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.829 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.52 -5.46 56.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.316 0.579 . . . . 15.0 109.762 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.99 10.36 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.749 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.459 ' O ' HG21 ' A' ' 440' ' ' THR . 51.0 mtpt -133.63 130.75 38.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.62 0.248 . . . . 15.0 110.602 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 p -104.3 118.56 36.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.464 -0.335 . . . . 15.0 110.299 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.62 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.5 p90 -111.32 123.57 50.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 15.0 110.469 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 455' ' ' SER . 13.9 m-85 -92.75 114.15 26.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 15.0 110.359 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.53 126.78 35.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -136.45 146.96 46.94 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.147 -0.478 . . . . 15.0 110.723 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -86.15 2.46 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.149 -0.932 . . . . 15.0 111.423 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -82.72 -43.36 16.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.855 0.36 . . . . 15.0 110.274 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.58 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 21.4 p -109.46 0.1 19.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.402 173.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.62 33.16 21.93 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.016 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.58 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -149.96 150.37 31.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.079 -173.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 13.2 p -91.03 116.38 28.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.824 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.4 t -96.49 150.0 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.447 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.36 -2.69 57.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.757 0.313 . . . . 15.0 111.426 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.9 mt-10 -86.57 149.08 25.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.513 176.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -92.14 107.15 20.99 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.429 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 29.7 Cg_exo -62.19 139.18 76.61 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.378 2.718 . . . . 15.0 113.274 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -94.37 -13.0 26.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.559 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.394 176.503 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.641 0.257 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.66 122.53 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.273 0.559 . . . . 15.0 110.348 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.2 m -89.57 96.98 10.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.089 0.471 . . . . 15.0 110.627 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -84.02 -9.81 58.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.707 0.765 . . . . 15.0 109.288 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -102.19 112.72 25.5 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.074 -0.966 . . . . 15.0 108.638 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 5.6 m -93.41 135.6 34.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.736 0.303 . . . . 15.0 110.902 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.8 109.86 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.434 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -120.66 115.24 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.907 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -115.0 116.84 29.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 t -90.05 149.95 22.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.094 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.06 15.01 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.806 0.692 . . . . 15.0 111.839 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.65 -13.01 61.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.488 0.661 . . . . 15.0 110.546 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 33.36 8.65 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.93 -0.653 . . . . 15.0 111.834 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -122.47 122.42 38.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.765 0.316 . . . . 15.0 110.738 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.1 p -96.57 104.61 16.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.089 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 8.6 p90 -105.02 117.48 34.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.583 0.706 . . . . 15.0 110.168 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.573 ' HA ' ' O ' ' A' ' 436' ' ' THR . 71.5 m-85 -89.92 114.19 25.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.042 -0.981 . . . . 15.0 110.417 -177.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -90.06 120.34 31.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.885 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -127.61 147.56 50.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.0 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.08 5.6 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -76.48 -42.38 43.8 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.087 0.47 . . . . 15.0 110.306 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.0 p -113.77 -0.06 14.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.478 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.39 29.46 18.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.201 0.524 . . . . 15.0 109.824 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -129.56 145.16 51.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.185 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 11.1 p -91.17 109.95 21.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.568 171.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -97.13 143.78 27.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.7 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -93.74 4.25 54.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 15.0 110.462 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.12 120.5 39.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.923 -0.581 . . . . 15.0 109.538 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -61.22 119.93 50.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.429 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 57.4 Cg_exo -52.28 125.99 19.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.176 2.584 . . . . 15.0 113.051 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.3 -12.15 61.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.831 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -99.22 -3.18 34.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.841 0.353 . . . . 15.0 110.869 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 47.8 tp -87.36 99.1 11.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.954 0.406 . . . . 15.0 110.275 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.449 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 14.2 ttpp . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.638 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.734 0.302 . . . . 15.0 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.53 -1.19 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.748 0.785 . . . . 15.0 109.873 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -78.46 99.73 6.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.985 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.55 ' OE2' ' HB2' ' A' ' 451' ' ' ARG . 29.9 tt0 -81.92 -16.86 49.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.92 0.867 . . . . 15.0 109.101 173.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.744 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 13.8 m95 -109.55 106.7 16.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.746 -1.115 . . . . 15.0 108.777 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -91.13 112.82 24.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.0 0.429 . . . . 15.0 111.276 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.8 pt-20 -90.0 106.14 18.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.503 0.668 . . . . 15.0 111.779 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.41 117.8 31.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.587 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.59 118.1 31.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.197 0.522 . . . . 15.0 110.385 -177.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.1 t -104.28 150.25 24.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.608 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.88 -4.91 10.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.21 0.528 . . . . 15.0 110.795 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -71.65 -5.67 35.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.102 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.73 10.46 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 115.892 -0.595 . . . . 15.0 111.838 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.668 ' HD3' ' HE2' ' A' ' 457' ' ' PHE . 80.1 mttt -139.04 135.23 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.91 0.385 . . . . 15.0 111.585 -172.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 439' ' ' LYS . 3.4 p -109.89 92.67 4.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.646 170.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 47.5 p90 -92.41 122.59 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.393 0.615 . . . . 15.0 110.949 -177.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 8.7 m-85 -92.48 111.97 23.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.009 -0.996 . . . . 15.0 110.08 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -90.05 125.79 35.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 451' ' ' ARG . 28.7 p-10 -121.66 148.41 44.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.972 -178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -83.63 -9.08 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.069 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.57 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 20.1 ttm180 -70.36 -40.93 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.543 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 1.2 m -117.59 -2.14 11.52 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.993 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.9 mt 56.67 32.88 21.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.076 0.465 . . . . 15.0 110.304 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 56.5 mm-40 -129.76 149.94 51.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 15.0 112.118 -170.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.495 ' HB3' ' HB2' ' A' ' 446' ' ' TYR . 16.5 m -99.47 109.13 21.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.4 171.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.1 t -91.7 137.79 32.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.887 0.375 . . . . 15.0 110.675 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.668 ' HE2' ' HD3' ' A' ' 444' ' ' LYS . 87.9 m-85 -90.09 -2.94 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.23 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.16 140.29 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.32 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -74.16 114.96 38.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.433 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.7 150.4 62.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.685 2.923 . . . . 15.0 114.194 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -79.32 -16.94 55.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.15 -0.932 . . . . 15.0 111.376 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.744 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.7 mm-40 -81.46 -4.61 56.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 15.0 110.988 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 38.0 tp -120.01 101.13 7.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.247 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.539 -0.743 . . . . 15.0 109.869 -179.611 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.545 0.212 . . . . 15.0 111.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.6 p -101.11 101.91 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 15.0 110.919 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.3 t -120.06 123.23 42.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.929 -0.578 . . . . 15.0 109.751 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.41 -14.11 60.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.207 0.527 . . . . 15.0 110.365 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.663 ' HB2' HD11 ' A' ' 463' ' ' LEU . 15.4 m95 -129.14 119.46 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.119 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.2 t -111.98 121.41 44.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.169 0.509 . . . . 15.0 110.044 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 1.2 pm0 -94.5 119.79 33.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 15.0 111.379 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.07 129.09 54.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.456 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -100.86 123.64 45.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.937 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.412 HG21 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -90.17 148.78 22.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -18.29 43.55 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.531 0.519 . . . . 15.0 111.67 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.02 -13.13 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.816 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 38.54 6.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.907 -0.663 . . . . 15.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.412 ' O ' HG21 ' A' ' 440' ' ' THR . 29.8 mtmm -132.82 124.89 28.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.857 0.36 . . . . 15.0 110.677 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.0 m -94.89 106.59 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.024 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.444 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 42.1 p90 -96.79 119.89 36.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.371 0.605 . . . . 15.0 110.275 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 42.2 m-85 -92.62 113.4 25.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.238 -0.892 . . . . 15.0 110.026 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.93 117.37 28.69 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.57 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 8.4 p30 -123.25 143.42 50.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.349 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.496 ' HA ' HD12 ' A' ' 453' ' ' LEU . 2.8 p-10 -83.56 5.69 23.25 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.628 175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.416 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.7 ttm180 -61.18 -55.88 27.15 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 173.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -114.5 0.27 13.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.883 -0.599 . . . . 15.0 112.054 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mm? 65.16 29.19 12.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.489 0.661 . . . . 15.0 109.642 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -127.77 143.07 51.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.985 -1.007 . . . . 15.0 109.743 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.444 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 11.4 t -90.4 120.99 31.98 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.921 -0.4 . . . . 15.0 109.921 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -120.5 146.67 46.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.243 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -90.3 4.69 50.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 15.0 111.215 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.83 144.53 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.754 -0.462 . . . . 15.0 109.754 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.91 112.46 52.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.77 145.2 97.41 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.507 2.804 . . . . 15.0 112.942 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -108.09 -7.56 16.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.426 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -94.32 -0.88 54.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.965 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 435' ' ' TRP . 0.0 OUTLIER -107.6 11.86 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.741 -0.837 . . . . 15.0 108.741 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.222 -0.894 . . . . 15.0 110.429 179.313 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.237 0.541 . . . . 15.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.33 -38.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.336 -0.847 . . . . 15.0 110.317 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.6 m -111.74 121.42 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.585 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -70.45 -21.21 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.703 0.287 . . . . 15.0 110.814 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.7 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 33.3 m95 -130.76 114.26 15.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 15.0 109.937 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.4 p -102.24 130.06 48.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.629 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 46.8 mt-10 -89.9 115.17 27.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.688 0.28 . . . . 15.0 111.234 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.22 110.46 21.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.594 ' HB3' HG23 ' A' ' 445' ' ' THR . 24.9 pttm -109.86 117.13 33.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.427 0.632 . . . . 15.0 111.447 -173.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.528 ' CG2' ' HB2' ' A' ' 444' ' ' LYS . 5.7 t -101.12 150.17 23.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.298 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.52 -6.41 7.4 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.069 0.396 . . . . 15.0 112.069 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.55 -3.06 25.48 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.408 0.623 . . . . 15.0 110.327 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 23.06 37.63 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.516 -0.634 . . . . 15.0 111.516 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.528 ' HB2' ' CG2' ' A' ' 440' ' ' THR . 44.0 mmtm -116.97 120.93 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.998 0.428 . . . . 15.0 110.899 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 439' ' ' LYS . 13.1 p -105.08 94.92 5.5 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.232 -0.655 . . . . 15.0 109.232 170.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.504 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 28.6 p90 -97.37 119.3 35.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.634 0.731 . . . . 15.0 110.438 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 8.9 m-85 -89.77 118.36 29.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.851 -1.068 . . . . 15.0 110.437 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -90.13 112.71 24.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.446 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 10.1 p30 -114.46 144.07 43.93 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.646 -0.707 . . . . 15.0 110.749 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.554 ' HA ' HD13 ' A' ' 453' ' ' LEU . 9.6 p30 -85.05 3.76 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.792 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.446 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 14.5 ttt180 -67.24 -59.76 3.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.303 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.8 p -112.88 0.51 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.73 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.5 mm? 63.25 57.79 1.5 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.132 0.491 . . . . 15.0 110.999 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.07 150.21 31.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.816 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.504 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 15.6 m -95.27 104.47 16.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.597 -0.52 . . . . 15.0 109.597 173.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -108.72 150.06 28.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.819 0.342 . . . . 15.0 110.916 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -87.96 1.06 55.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.388 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.579 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 11.4 pt-20 -84.23 139.39 32.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.384 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -96.05 100.33 6.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.579 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 6.0 Cg_exo -79.43 139.02 14.25 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.649 2.232 . . . . 15.0 112.5 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.67 4.0 4.45 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.748 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.7 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.6 mm-40 -76.15 -11.43 59.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.228 0.537 . . . . 15.0 109.921 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 435' ' ' TRP . 41.9 tp -85.12 143.67 28.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.863 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.546 ' HD2' ' N ' ' A' ' 464' ' ' LYS . 10.7 mptt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.398 -0.811 . . . . 15.0 110.369 -175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.674 0.273 . . . . 15.0 110.663 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.3 p -97.12 111.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.623 . . . . 15.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 53.3 p -119.93 113.94 21.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.024 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.27 -17.91 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.37 . . . . 15.0 110.475 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.453 ' HB2' HD11 ' A' ' 463' ' ' LEU . 28.2 m95 -106.09 101.01 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 15.0 109.792 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 29.1 m -101.88 124.18 47.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 15.0 110.412 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.662 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.6 pt-20 -89.83 128.55 36.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.125 0.488 . . . . 15.0 111.473 -175.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.17 115.23 23.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -97.51 120.51 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.392 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.465 HG23 ' HB3' ' A' ' 442' ' ' ASP . 4.0 t -96.93 150.08 21.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.972 177.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.77 -6.09 2.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.465 ' HB3' HG23 ' A' ' 440' ' ' THR . 18.3 t70 -64.67 -16.44 62.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.188 0.518 . . . . 15.0 110.513 173.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.96 18.94 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.183 -1.167 . . . . 15.0 110.183 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.509 ' HB2' ' HZ3' ' A' ' 444' ' ' LYS . 0.1 OUTLIER -125.04 131.91 53.29 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.765 -0.717 . . . . 15.0 110.327 -173.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.6 p -114.14 99.23 7.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.418 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -96.97 129.59 44.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 15.0 110.036 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.662 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 49.2 m-85 -96.9 117.16 30.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.832 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.75 122.78 33.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.406 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' A' ' 452' ' ' THR . 9.3 p30 -133.54 143.49 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.624 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -83.99 -1.98 55.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -67.44 -52.13 43.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 15.0 110.307 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 454' ' ' GLU . 12.4 t -106.16 -0.11 24.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 62.74 30.78 16.8 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.893 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.549 ' HB3' HG23 ' A' ' 452' ' ' THR . 36.8 tt0 -147.13 149.91 33.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.549 -0.296 . . . . 15.0 110.764 -172.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.0 m -89.81 113.15 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.002 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -98.92 147.36 25.05 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.498 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -94.14 0.67 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 15.0 109.953 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -107.32 121.87 45.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.258 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.36 117.47 66.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.995 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.61 150.28 11.48 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.846 2.364 . . . . 15.0 112.007 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.33 3.34 7.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.402 0.62 . . . . 15.0 110.751 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -75.98 -11.33 59.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 15.0 110.25 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 435' ' ' TRP . 56.6 tp -95.57 116.79 29.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 15.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 464' ' ' LYS . 8.7 mptt . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.367 -0.825 . . . . 15.0 110.003 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.45 ' HB2' ' HD1' ' A' ' 435' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 121.031 0.443 . . . . 15.0 110.339 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.28 -39.01 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.024 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.9 p -109.18 -15.78 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.853 0.686 . . . . 15.0 112.853 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.98 -20.61 28.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 57.9 m95 -135.2 113.58 11.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.172 -0.307 . . . . 15.0 110.172 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.462 ' OG1' ' HB3' ' A' ' 448' ' ' TYR . 21.8 p -100.27 109.05 21.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.83 106.16 18.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.464 0.65 . . . . 15.0 110.887 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.433 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 93.1 m-85 -104.21 111.68 24.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.116 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -96.47 105.27 17.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.829 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.515 ' CG2' ' HG2' ' A' ' 444' ' ' LYS . 8.7 t -97.47 145.46 26.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.196 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.11 -1.39 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.435 ' HB3' ' HD3' ' A' ' 444' ' ' LYS . 21.3 t0 -73.55 -2.1 21.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.476 0.655 . . . . 15.0 109.812 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 34.58 7.99 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.628 -0.714 . . . . 15.0 112.388 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.515 ' HG2' ' CG2' ' A' ' 440' ' ' THR . 0.0 OUTLIER -150.08 136.15 18.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 15.0 111.601 178.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.9 p -100.05 108.21 20.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.892 -0.595 . . . . 15.0 109.756 170.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 34.4 p90 -101.93 118.67 37.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.667 0.746 . . . . 15.0 110.474 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -96.32 111.67 23.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.927 -1.033 . . . . 15.0 109.679 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.462 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 67.0 t80 -89.85 119.85 30.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.013 0.435 . . . . 15.0 110.137 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.517 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -123.86 144.24 49.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.776 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -84.26 4.47 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.188 -0.915 . . . . 15.0 110.0 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -69.3 -51.63 35.3 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.859 0.361 . . . . 15.0 110.04 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.597 HG21 ' HB2' ' A' ' 454' ' ' GLU . 13.6 t -110.2 -0.05 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.937 175.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.05 30.83 9.36 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.05 0.452 . . . . 15.0 110.461 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.597 ' HB2' HG21 ' A' ' 452' ' ' THR . 49.7 mt-10 -138.0 150.11 46.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.622 -173.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 20.4 t -95.23 118.36 31.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.734 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -111.82 144.47 41.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.34 -2.23 58.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 15.0 110.613 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.55 135.61 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.002 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.7 111.07 22.92 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.9 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.694 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 48.2 Cg_exo -56.38 133.36 57.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.408 2.739 . . . . 15.0 113.367 -176.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -76.77 -20.84 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 15.0 110.172 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -95.17 8.56 42.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.225 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 5.1 tt -87.53 108.8 19.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.283 0.563 . . . . 15.0 110.198 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.296 -0.859 . . . . 15.0 108.694 178.303 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.81 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.397 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 42.8 t -113.92 129.45 56.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.68 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.03 -12.66 49.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.495 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -101.94 107.94 19.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.357 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 14.1 m -107.63 114.76 28.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.201 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.1 pt-20 -89.92 130.04 36.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 15.0 112.276 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.42 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 89.8 m-85 -127.01 128.21 46.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.23 172.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.669 ' HB2' ' HZ3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -103.06 123.59 46.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.167 0.508 . . . . 15.0 111.088 177.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 444' ' ' LYS . 10.1 t -90.04 150.35 22.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -11.55 6.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.275 -0.42 . . . . 15.0 112.044 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.4 -12.46 60.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.372 0.606 . . . . 15.0 110.38 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 30.35 13.0 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HE2' ' CD2' ' A' ' 457' ' ' PHE . 80.5 tttt -131.82 128.17 38.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.91 0.386 . . . . 15.0 110.132 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.668 HG23 ' HB3' ' A' ' 439' ' ' LYS . 9.2 p -101.31 125.96 48.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.226 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.469 ' HB3' ' CD2' ' A' ' 457' ' ' PHE . 50.6 p90 -121.69 132.2 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 15.0 110.748 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 18.3 m-85 -98.91 112.79 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.476 -0.783 . . . . 15.0 110.051 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.87 119.22 30.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.703 HD22 HG22 ' A' ' 452' ' ' THR . 6.1 p-10 -118.4 133.52 55.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.408 0.623 . . . . 15.0 111.568 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.88 -3.4 31.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.901 -1.045 . . . . 15.0 110.594 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.605 ' HB3' HD21 ' A' ' 449' ' ' ASN . 45.0 ttm180 -60.07 -52.16 66.53 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.148 0.499 . . . . 15.0 110.383 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.878 HG21 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -118.33 0.4 11.67 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.877 -0.601 . . . . 15.0 112.127 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.7 mp 64.87 39.48 5.97 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.313 0.577 . . . . 15.0 110.749 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.878 ' HB2' HG21 ' A' ' 452' ' ' THR . 0.1 OUTLIER -128.29 150.09 50.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.829 . . . . 15.0 109.824 -176.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.6 m -103.19 108.3 19.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.7 t -96.54 122.85 39.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.269 0.557 . . . . 15.0 110.783 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 444' ' ' LYS . 91.9 m-85 -82.7 -3.23 56.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.431 0.634 . . . . 15.0 109.667 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -99.49 122.84 43.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.093 -0.958 . . . . 15.0 109.201 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.65 117.85 59.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.209 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -71.87 138.21 31.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.656 2.237 . . . . 15.0 111.754 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -7.45 56.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.839 -174.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -80.99 -6.22 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.77 0.285 . . . . 15.0 111.77 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.54 113.47 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.23 -0.655 . . . . 15.0 109.23 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 8.4 pttm . . . . . 0 C--O 1.248 1.021 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.716 -178.064 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.105 0.479 . . . . 15.0 110.64 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 31.5 t -77.12 -22.62 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.348 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.1 m -64.32 116.24 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.428 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.02 -11.86 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.437 0.636 . . . . 15.0 110.738 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.693 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 19.3 m95 -109.13 103.07 11.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.41 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 448' ' ' TYR . 11.3 t -99.66 120.33 39.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 15.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.538 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.1 pt-20 -95.03 117.92 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.495 0.664 . . . . 15.0 111.788 -176.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -112.91 115.02 27.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.868 . . . . 15.0 108.788 172.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -101.73 126.36 48.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.497 0.665 . . . . 15.0 111.524 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -94.41 149.77 20.92 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.385 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 -7.9 11.41 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.208 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.66 -15.01 62.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.29 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.11 7.74 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.616 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -133.09 128.34 35.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 15.0 110.685 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.6 m -103.78 98.87 8.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 15.0 109.956 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.544 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 38.8 p90 -95.96 122.8 39.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.718 0.771 . . . . 15.0 110.784 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 22.6 m-85 -89.85 122.03 32.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.796 -1.093 . . . . 15.0 109.407 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 436' ' ' THR . 20.4 t80 -90.25 107.77 19.35 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.94 -0.763 . . . . 15.0 108.94 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -117.35 124.55 49.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.544 -0.753 . . . . 15.0 111.092 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -75.31 -5.95 47.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -60.02 -50.09 75.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.747 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.487 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.1 OUTLIER -113.93 0.18 14.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.791 -0.641 . . . . 15.0 112.169 175.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.4 mt 65.27 28.17 12.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.725 0.41 . . . . 15.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.487 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 0.3 OUTLIER -138.36 150.2 46.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.295 -175.467 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.8 m -90.74 114.66 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 15.0 111.305 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.6 t -98.33 145.52 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.478 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 99.2 m-85 -97.68 3.97 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.478 . . . . 15.0 110.241 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -101.56 123.71 46.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.004 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -61.96 113.69 9.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.109 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.22 141.4 6.96 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.179 2.586 . . . . 15.0 112.626 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -83.07 2.71 33.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.77 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.693 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 4.4 mm-40 -77.14 -12.21 59.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 15.0 110.228 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 435' ' ' TRP . 2.4 tt -87.59 101.24 13.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.513 -177.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.55 -0.75 . . . . 15.0 109.478 -178.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.08 78.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.159 0.98 . . . . 15.0 111.3 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.9 t -120.05 115.36 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.398 -0.819 . . . . 15.0 109.626 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -83.29 -0.59 50.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.491 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.529 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 69.6 m95 -118.4 107.37 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.298 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -95.7 118.74 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.92 0.391 . . . . 15.0 110.423 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.13 108.6 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.687 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -107.55 110.62 22.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.223 -0.658 . . . . 15.0 109.223 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -105.31 125.1 50.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.237 0.541 . . . . 15.0 110.53 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -108.04 150.36 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.94 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.49 -5.2 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -71.01 -9.12 57.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.44 0.638 . . . . 15.0 110.355 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 34.21 8.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.803 -0.713 . . . . 15.0 111.664 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -131.68 126.83 35.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.755 0.312 . . . . 15.0 111.094 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 48.1 p -108.69 100.44 9.68 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 171.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -100.62 114.37 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.725 0.774 . . . . 15.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -96.08 118.94 33.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.467 -1.242 . . . . 15.0 109.632 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -89.93 121.35 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.191 0.52 . . . . 15.0 109.611 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.529 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -125.72 141.43 52.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.825 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.508 ' HA ' HD12 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -80.53 3.12 22.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.569 175.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.0 -50.87 25.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 121.166 0.507 . . . . 15.0 110.051 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -108.75 -0.21 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.218 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mm? 60.18 26.9 16.34 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.525 0.678 . . . . 15.0 109.927 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -123.61 145.34 48.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.781 -1.1 . . . . 15.0 110.96 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 t -91.63 106.93 18.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 t -101.9 133.11 47.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 15.0 111.1 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -83.24 3.18 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.967 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -101.73 145.09 29.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -80.62 116.32 61.27 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.597 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.95 130.91 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.568 2.179 . . . . 15.0 112.195 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -77.98 -15.82 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.344 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -86.2 4.83 36.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.768 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.57 132.27 44.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.831 -0.622 . . . . 15.0 109.879 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.67 -0.681 . . . . 15.0 110.8 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.735 0.302 . . . . 15.0 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.45 140.92 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.992 0.425 . . . . 15.0 110.472 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.5 m -105.74 136.54 45.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.043 0.449 . . . . 15.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.63 109.64 21.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.36 0.6 . . . . 15.0 109.683 173.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -90.13 130.2 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.382 -0.826 . . . . 15.0 109.375 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 m -89.68 115.94 27.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.959 0.409 . . . . 15.0 110.824 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.23 121.15 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.668 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.412 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 86.5 m-85 -110.55 110.2 20.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 15.0 109.54 172.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.645 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 4.6 ttmp? -92.21 111.08 22.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.478 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 444' ' ' LYS . 9.1 t -93.88 146.96 23.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.285 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.3 -1.64 2.51 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.795 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.48 -11.12 60.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.495 0.664 . . . . 15.0 109.73 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.79 8.58 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.662 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.454 ' O ' HG21 ' A' ' 440' ' ' THR . 29.1 mtmm -138.1 127.39 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.403 . . . . 15.0 111.203 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 p -98.98 106.69 18.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.288 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.501 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 52.3 p90 -103.18 123.98 47.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.478 0.656 . . . . 15.0 110.744 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.14 110.58 21.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.159 -0.928 . . . . 15.0 109.443 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -90.21 126.81 35.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.301 0.572 . . . . 15.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -129.85 141.66 50.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.334 -0.848 . . . . 15.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -87.98 5.92 38.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.367 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -68.62 -54.91 13.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.308 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.733 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.8 m -105.46 -0.52 25.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.136 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.4 mp 62.88 31.98 16.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.405 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.733 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 15.6 pt-20 -134.81 149.83 50.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.319 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.7 p -94.79 109.66 21.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.191 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.7 t -101.45 139.37 37.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.169 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 94.0 m-85 -90.58 0.33 57.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.066 0.46 . . . . 15.0 110.619 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.51 135.62 39.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.753 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -77.29 121.68 84.92 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.23 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.87 148.96 35.55 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.403 2.736 . . . . 15.0 113.123 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -91.77 -16.57 26.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.629 . . . . 15.0 110.339 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -91.16 -21.98 20.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.607 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -119.98 107.08 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.156 -0.217 . . . . 15.0 110.565 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 67.5 mttm . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.625 -0.702 . . . . 15.0 109.764 177.074 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.788 0.328 . . . . 15.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.75 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.587 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 32.7 t -76.81 125.79 29.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.171 -0.307 . . . . 15.0 110.171 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 42.5 mt-10 -73.17 -21.2 60.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.847 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.594 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.8 m95 -114.89 124.05 50.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.836 0.35 . . . . 15.0 110.521 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 22.8 p -106.74 134.13 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.818 175.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 13.0 pt-20 -91.01 101.53 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.538 0.685 . . . . 15.0 111.181 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -107.89 96.24 6.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.427 0.632 . . . . 15.0 109.934 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.748 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -99.25 107.46 19.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.741 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.498 HG21 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -95.73 146.47 24.49 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.515 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.88 1.97 2.29 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.483 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.1 -10.08 57.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.649 0.738 . . . . 15.0 109.378 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 30.97 11.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.186 -0.915 . . . . 15.0 112.261 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.509 ' HD2' ' CE1' ' A' ' 457' ' ' PHE . 14.6 pttm -150.04 137.11 19.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 15.0 111.119 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.1 m -101.22 123.03 44.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 32.5 p90 -113.43 117.49 31.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.708 0.766 . . . . 15.0 110.467 175.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 436' ' ' THR . 42.6 m-85 -90.12 113.42 25.17 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.802 -1.09 . . . . 15.0 109.203 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -90.27 118.37 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 15.0 110.209 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 33.5 p-10 -112.32 137.57 50.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 15.0 111.286 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.98 1.23 18.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.057 172.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.589 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 41.8 ttm180 -71.4 -51.2 25.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.445 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.7 p -115.78 0.33 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 15.0 112.225 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.2 mp 64.78 32.08 11.31 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.511 0.672 . . . . 15.0 109.621 -175.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.802 -1.09 . . . . 15.0 111.078 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -105.2 93.38 4.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 169.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -95.15 141.91 28.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.95 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.509 ' CE1' ' HD2' ' A' ' 444' ' ' LYS . 83.5 m-85 -91.26 8.35 36.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 15.0 110.424 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -102.18 135.73 43.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.726 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -71.97 118.85 70.65 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.968 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.93 136.67 53.99 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.02 2.48 . . . . 15.0 112.298 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.39 -20.19 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.212 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -82.33 -1.98 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.939 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.6 tp -77.41 104.14 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 15.0 110.012 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.668 -0.682 . . . . 15.0 110.48 -179.477 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.734 0.302 . . . . 15.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.4 t -96.53 114.95 34.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.028 0.442 . . . . 15.0 110.01 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.3 m -90.07 38.32 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.809 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.8 pt-20 -64.94 -21.51 66.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.463 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.923 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 42.1 m95 -120.16 105.42 10.96 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.887 -0.783 . . . . 15.0 108.887 172.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 4.6 m -97.48 128.06 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.895 -0.322 . . . . 15.0 110.384 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.82 107.19 18.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.817 0.341 . . . . 15.0 111.214 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -109.94 121.29 44.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 174.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.499 ' HB3' HG23 ' A' ' 445' ' ' THR . 14.4 pttm -120.34 119.68 33.82 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.274 -174.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 444' ' ' LYS . 6.1 t -89.97 150.26 22.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.963 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.07 -0.71 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.3 0.482 . . . . 15.0 112.3 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.29 -8.5 57.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.384 0.612 . . . . 15.0 110.024 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 37.79 6.65 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.325 -0.71 . . . . 15.0 111.325 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.415 ' HB2' HG21 ' A' ' 440' ' ' THR . 22.1 mtpp -124.64 118.12 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 439' ' ' LYS . 1.3 p -98.92 104.62 16.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.688 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -113.06 120.66 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 15.0 110.754 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.467 ' HA ' ' O ' ' A' ' 436' ' ' THR . 49.4 m-85 -90.42 116.28 28.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.029 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.505 ' HD1' ' HG ' ' A' ' 455' ' ' SER . 88.6 t80 -91.31 125.06 35.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.663 -0.699 . . . . 15.0 109.873 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.674 HD22 HG22 ' A' ' 452' ' ' THR . 36.0 p-10 -117.12 138.74 51.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.324 0.583 . . . . 15.0 111.091 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.96 -4.36 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 15.0 109.633 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 35.3 mtp180 -66.46 -54.2 26.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.731 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.674 HG22 HD22 ' A' ' 449' ' ' ASN . 15.3 t -114.11 0.04 14.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.786 0.291 . . . . 15.0 111.786 174.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 67.43 36.11 3.98 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.817 0.447 . . . . 15.0 110.784 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.518 ' HB2' HG21 ' A' ' 452' ' ' THR . 52.2 mt-10 -138.14 150.07 46.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 15.0 111.319 -173.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.505 ' HG ' ' HD1' ' A' ' 448' ' ' TYR . 20.2 m -102.78 120.11 40.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.821 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 9.8 t -115.04 145.87 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.3 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -88.53 0.03 56.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 15.0 111.455 -174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.503 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 13.2 pt-20 -100.82 150.01 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.88 110.11 37.41 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.342 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.503 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 4.5 Cg_exo -79.49 140.42 15.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.896 2.398 . . . . 15.0 111.873 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -79.74 7.01 9.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.217 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.923 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 16.9 mm-40 -84.27 -9.21 58.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.945 0.402 . . . . 15.0 110.87 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 435' ' ' TRP . 5.4 tt -70.39 114.55 8.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.656 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.358 -0.829 . . . . 15.0 110.029 -177.456 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.995 -0.372 . . . . 15.0 109.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.47 117.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.631 -177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.1 m -119.95 119.71 34.24 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.719 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -27.87 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.633 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.694 ' HB2' HD13 ' A' ' 463' ' ' LEU . 25.9 m95 -129.53 108.9 10.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 46.0 p -90.5 132.2 35.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.874 0.369 . . . . 15.0 110.395 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -93.99 108.34 20.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.074 0.464 . . . . 15.0 110.474 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -126.32 119.44 27.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.73 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.51 ' HB3' HG22 ' A' ' 445' ' ' THR . 18.4 pttm -119.36 131.12 55.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.139 0.495 . . . . 15.0 111.531 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.2 t -100.19 149.06 23.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.724 175.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.68 8.93 0.42 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.447 0.536 . . . . 15.0 112.447 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.44 -3.37 52.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.571 . . . . 15.0 109.64 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 27.73 20.07 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.865 -0.683 . . . . 15.0 111.678 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.406 ' HE2' ' CE2' ' A' ' 457' ' ' PHE . 55.8 mtpt -134.81 124.34 24.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.704 0.288 . . . . 15.0 110.917 -175.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.51 HG22 ' HB3' ' A' ' 439' ' ' LYS . 4.5 m -103.45 119.1 38.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.276 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.698 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 23.4 p90 -110.31 115.78 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.694 0.759 . . . . 15.0 110.633 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 436' ' ' THR . 82.8 m-85 -90.35 112.25 23.76 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.025 -0.988 . . . . 15.0 109.88 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -90.17 120.84 31.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.507 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.51 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 36.8 p-10 -111.16 144.11 40.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.884 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.476 ' HA ' HD21 ' A' ' 453' ' ' LEU . 28.9 p30 -82.54 -3.68 56.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.522 172.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.425 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 33.3 ttm180 -71.04 -62.81 1.26 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.672 -0.695 . . . . 15.0 110.69 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.412 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 14.0 p -104.54 0.2 28.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 15.0 110.912 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 450' ' ' ASN . 96.1 mt 61.07 58.92 2.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.903 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.16 150.07 31.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.213 0.53 . . . . 15.0 111.353 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.698 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.9 p -97.55 100.69 12.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 173.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.8 t -94.7 133.31 38.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 110.445 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 445' ' ' THR . 96.0 m-85 -84.55 -1.14 55.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.996 0.427 . . . . 15.0 111.033 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -96.45 125.04 40.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.615 ' HB3' ' HZ1' ' A' ' 459' ' ' LYS . 9.5 mtpm? -60.39 117.85 28.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 15.0 111.691 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.44 123.95 13.35 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.764 2.31 . . . . 15.0 111.761 176.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -74.04 -8.51 56.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 15.0 111.397 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -103.86 2.4 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.711 0.291 . . . . 15.0 111.282 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 435' ' ' TRP . 53.9 tp -73.7 106.37 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.279 0.561 . . . . 15.0 111.827 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.884 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 174.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.7 m -82.32 -30.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 15.0 111.146 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 42.9 m -95.12 111.51 23.33 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.805 -0.443 . . . . 15.0 109.805 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.93 117.63 28.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.484 0.659 . . . . 15.0 110.892 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.67 ' CD1' ' HG ' ' A' ' 463' ' ' LEU . 24.9 m95 -90.04 111.68 22.87 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.866 -0.79 . . . . 15.0 108.866 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -89.94 123.45 33.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.846 0.355 . . . . 15.0 111.004 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.521 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 34.3 mt-10 -89.98 115.59 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.929 -175.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -121.89 121.99 38.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.33 -0.396 . . . . 15.0 110.915 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.519 ' HD3' HG22 ' A' ' 445' ' ' THR . 21.5 tptm -95.34 109.28 21.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 174.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.1 t -92.58 148.65 21.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.828 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.23 1.18 1.65 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.237 0.541 . . . . 15.0 111.079 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.5 -7.7 49.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.436 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 26.47 23.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.376 -0.829 . . . . 15.0 112.339 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -145.98 139.09 25.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 15.0 111.591 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.519 HG22 ' HD3' ' A' ' 439' ' ' LYS . 3.7 p -92.93 114.66 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.18 173.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -107.77 135.0 49.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.41 0.624 . . . . 15.0 110.209 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 5.6 m-85 -99.89 115.19 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.24 -0.891 . . . . 15.0 109.999 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -90.03 121.83 32.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.26 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.626 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 3.5 p-10 -120.76 137.56 54.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.139 0.495 . . . . 15.0 111.356 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.467 ' HA ' HD22 ' A' ' 453' ' ' LEU . 29.5 p-10 -80.83 -3.21 50.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.342 -0.844 . . . . 15.0 110.175 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.93 -57.77 11.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.556 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.446 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 17.1 p -114.89 0.18 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.683 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 450' ' ' ASN . 93.9 mt 61.96 55.78 2.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.464 0.65 . . . . 15.0 110.629 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -138.78 150.15 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.2 -0.909 . . . . 15.0 110.278 -176.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.6 m -98.93 106.51 18.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.8 t -99.73 150.11 22.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.76 -176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -100.33 5.01 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.02 0.438 . . . . 15.0 110.888 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.454 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 140.55 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.679 -0.489 . . . . 15.0 109.679 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.85 108.28 8.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.627 -0.26 . . . . 15.0 110.642 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.1 Cg_exo -64.68 137.3 53.6 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.933 2.422 . . . . 15.0 112.959 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -91.62 -9.52 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.623 0.725 . . . . 15.0 109.764 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.55 4.3 40.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.737 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.67 ' HG ' ' CD1' ' A' ' 435' ' ' TRP . 1.5 tt -85.58 114.31 22.49 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.4 tptp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.106 -0.949 . . . . 15.0 110.448 -178.44 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.999 0.428 . . . . 15.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 25.1 m -88.74 162.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.222 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.3 m -95.48 10.87 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.02 0.438 . . . . 15.0 110.826 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 -16.24 61.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.701 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -124.05 112.3 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.199 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 1.7 m -90.18 136.97 32.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.392 . . . . 15.0 111.459 -173.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -90.0 106.87 18.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.768 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -126.57 115.82 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 15.0 110.642 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -109.84 127.31 54.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.55 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -96.13 144.03 26.73 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 110.098 -0.334 . . . . 15.0 110.098 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.45 -5.56 5.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.585 -0.734 . . . . 15.0 111.551 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.92 -9.71 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.242 0.544 . . . . 15.0 110.469 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 36.52 7.09 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.936 -0.575 . . . . 15.0 112.297 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.01 138.72 20.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.066 0.46 . . . . 15.0 110.861 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.9 m -98.41 136.37 38.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.666 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.454 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 23.1 p90 -127.38 120.88 29.48 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.768 0.794 . . . . 15.0 110.071 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.5 m-85 -93.3 111.12 22.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.182 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -93.63 124.6 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.271 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -121.1 139.47 53.29 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.059 0.457 . . . . 15.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.455 ' HA ' HD22 ' A' ' 453' ' ' LEU . 30.2 p-10 -83.63 2.05 39.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.095 -0.957 . . . . 15.0 110.121 177.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.81 -62.53 1.8 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.309 0.576 . . . . 15.0 109.954 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.53 HG21 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -111.02 0.53 16.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.392 -0.822 . . . . 15.0 111.235 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 450' ' ' ASN . 89.9 mt 68.93 35.38 2.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.353 0.597 . . . . 15.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' A' ' 452' ' ' THR . 43.7 mt-10 -126.99 149.93 49.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.318 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.454 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 27.9 t -105.36 117.67 34.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.903 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.2 t -104.25 133.77 48.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.663 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.62 -0.4 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.283 0.563 . . . . 15.0 109.956 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -110.17 140.31 44.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.333 -0.849 . . . . 15.0 109.706 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -74.96 120.83 83.53 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.853 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.57 147.12 35.47 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.879 2.386 . . . . 15.0 112.231 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -70.42 -10.66 59.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.508 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -80.32 -11.29 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.037 -0.265 . . . . 15.0 111.232 176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.6 114.5 28.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.915 0.388 . . . . 15.0 110.81 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.61 -0.71 . . . . 15.0 110.155 177.31 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.11 2.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 15.0 111.562 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.5 m -89.21 118.49 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 15.0 111.665 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.419 ' OE2' ' HB2' ' A' ' 449' ' ' ASN . 14.9 tt0 -92.39 -13.46 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.541 0.686 . . . . 15.0 109.822 175.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.451 ' CE3' ' HG2' ' A' ' 460' ' ' PRO . 23.4 m95 -89.67 108.25 19.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.082 -173.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.9 p -101.64 114.04 27.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.492 -0.322 . . . . 15.0 110.53 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.662 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.3 pt-20 -89.94 122.04 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.392 0.615 . . . . 15.0 110.952 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -106.22 120.4 41.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.443 -0.799 . . . . 15.0 109.368 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 445' ' ' THR . 0.2 OUTLIER -94.2 114.95 27.16 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.454 -0.793 . . . . 15.0 110.548 -174.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -92.82 143.93 25.78 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -13.92 25.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.984 -0.553 . . . . 15.0 111.527 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.66 -13.59 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.694 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 37.66 6.63 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.862 -0.608 . . . . 15.0 111.904 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.519 ' O ' HG21 ' A' ' 440' ' ' THR . 29.0 mtmm -132.87 141.43 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.562 HG22 ' HG2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -122.74 113.68 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.084 -0.339 . . . . 15.0 110.084 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 51.4 p90 -105.75 126.02 51.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 15.0 110.433 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.662 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 52.8 m-85 -90.41 112.4 23.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.178 -0.919 . . . . 15.0 110.031 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.98 117.7 28.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.548 . . . . 15.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.643 HD21 ' HB3' ' A' ' 451' ' ' ARG . 5.3 p-10 -135.17 141.71 45.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.375 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -89.99 -3.81 57.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.052 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.643 ' HB3' HD21 ' A' ' 449' ' ' ASN . 66.8 ttt180 -59.92 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.3 173.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.564 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 5.1 p -108.12 -0.02 21.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.632 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.47 27.14 13.5 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.777 0.431 . . . . 15.0 111.176 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.564 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 10.4 pt-20 -127.26 150.1 49.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.921 0.391 . . . . 15.0 110.955 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.455 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 20.4 m -96.64 100.43 11.99 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 169.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -90.1 126.15 35.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 15.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -80.69 -6.88 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.522 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -99.01 131.5 45.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.352 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -70.16 117.14 51.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 O-C-N 123.236 0.335 . . . . 15.0 111.672 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HG2' ' CE3' ' A' ' 435' ' ' TRP . 24.1 Cg_exo -65.33 139.24 58.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.851 2.368 . . . . 15.0 112.102 175.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.12 -12.14 61.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.348 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -67.63 -13.84 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.457 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -111.8 5.0 18.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.237 0.542 . . . . 15.0 110.257 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 60.7 tttm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.579 -0.724 . . . . 15.0 110.365 -178.178 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.426 ' O ' ' HE2' ' A' ' 464' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.244 0.545 . . . . 15.0 110.118 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.42 127.85 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' A' ' 462' ' ' GLU . 14.6 m -120.0 105.37 10.97 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -97.38 130.11 44.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.241 -171.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 463' ' ' LEU . 46.2 m95 -140.88 115.38 9.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.367 -0.833 . . . . 15.0 108.831 176.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 m -90.02 116.1 27.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.921 0.391 . . . . 15.0 110.761 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.614 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.5 pt-20 -89.8 126.36 35.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.261 0.553 . . . . 15.0 111.177 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.87 109.53 19.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.3 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.566 ' HB3' HG23 ' A' ' 445' ' ' THR . 5.8 ptpp? -90.22 107.69 19.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.378 0.609 . . . . 15.0 110.063 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -93.98 142.87 26.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.943 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.32 3.73 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.42 -4.29 14.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.97 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.97 15.9 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 115.54 -0.754 . . . . 15.0 112.799 173.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.709 ' HD2' ' CE2' ' A' ' 457' ' ' PHE . 14.0 pttp -150.31 136.93 19.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.349 0.595 . . . . 15.0 112.451 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.566 HG23 ' HB3' ' A' ' 439' ' ' LYS . 20.2 p -98.95 110.57 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.853 . . . . 15.0 109.955 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -109.98 129.96 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.405 0.622 . . . . 15.0 110.753 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 10.9 m-85 -95.8 117.27 30.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.972 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -99.23 127.81 45.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.599 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.523 HD21 ' HB2' ' A' ' 451' ' ' ARG . 29.6 p-10 -122.64 143.64 49.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.32 0.581 . . . . 15.0 111.133 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.57 2.57 32.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.32 173.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.523 ' HB2' HD21 ' A' ' 449' ' ' ASN . 85.5 mtt180 -74.53 -45.36 46.21 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.463 -0.335 . . . . 15.0 111.143 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.2 p -116.56 0.23 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.527 0.566 . . . . 15.0 112.527 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 56.79 48.64 15.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.307 0.575 . . . . 15.0 110.153 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.78 150.03 36.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.822 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.0 p -99.44 109.28 21.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.723 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.6 t -99.89 139.65 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 15.0 110.128 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . 0.709 ' CE2' ' HD2' ' A' ' 444' ' ' LYS . 94.1 m-85 -93.46 1.04 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.25 0.548 . . . . 15.0 110.228 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.5 mp0 -92.8 132.75 36.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.215 174.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -77.45 110.29 12.1 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.655 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 27.8 Cg_exo -62.25 126.0 17.6 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.005 2.47 . . . . 15.0 112.512 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -85.2 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 9.9 pt-20 -97.2 -0.36 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.696 -177.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 435' ' ' TRP . 6.3 tt -60.81 120.02 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.245 0.34 . . . . 15.0 110.178 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 462' ' ' GLU . 24.3 pttm . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.505 -0.759 . . . . 15.0 110.016 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.37 -50.52 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.479 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.2 m -79.24 122.43 26.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.629 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -93.51 126.47 38.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.497 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m95 -111.8 117.69 33.51 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -89.69 108.61 19.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.146 0.498 . . . . 15.0 110.828 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.0 pt-20 -92.72 126.73 37.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.499 -176.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 85.2 m-85 -123.08 130.28 52.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 173.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.616 ' HB3' HG23 ' A' ' 445' ' ' THR . 20.2 pttp -102.34 117.2 34.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.354 0.597 . . . . 15.0 110.936 178.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -89.7 150.07 22.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.568 -0.742 . . . . 15.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.99 -9.58 3.24 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.838 0.711 . . . . 15.0 111.758 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.24 -10.32 58.55 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.443 0.639 . . . . 15.0 110.013 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 34.75 7.9 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.732 175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -143.94 135.06 25.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.922 0.391 . . . . 15.0 111.515 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.616 HG23 ' HB3' ' A' ' 439' ' ' LYS . 4.7 p -98.17 119.52 36.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.977 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 46.6 p90 -111.38 124.53 52.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 15.0 110.454 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 14.8 m-85 -95.31 116.92 29.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.254 -0.884 . . . . 15.0 109.576 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -89.75 119.7 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.497 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 31.9 p-10 -114.01 136.26 53.1 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 15.0 110.958 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -74.01 -8.17 55.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.894 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.453 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 39.1 ttm180 -71.23 -46.88 60.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.878 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -111.58 -2.86 15.3 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.689 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mp 59.03 31.5 21.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.189 0.519 . . . . 15.0 109.745 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -132.86 150.24 52.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.635 -0.711 . . . . 15.0 111.058 -168.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -93.99 100.4 12.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.3 t -94.98 144.09 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 15.0 111.055 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -98.97 2.87 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.661 0.744 . . . . 15.0 109.822 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -95.88 121.52 37.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.103 -0.953 . . . . 15.0 110.011 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.841 ' HZ3' ' HB3' ' A' ' 459' ' ' LYS . 9.3 mtpm? -64.16 120.38 63.91 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 15.0 110.655 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.435 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 60.0 Cg_endo -80.02 139.74 13.77 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.695 2.264 . . . . 15.0 111.982 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -71.38 -11.75 61.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 15.0 111.226 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.421 ' HG2' HH22 ' A' ' 451' ' ' ARG . 58.1 mp0 -67.81 -25.78 65.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.12 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 464' ' ' LYS . 23.1 tp -116.13 10.34 14.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.468 -0.333 . . . . 15.0 110.678 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 463' ' ' LEU . 65.8 tttm . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.062 0.458 . . . . 15.0 110.084 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.6 m -83.53 2.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.058 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.0 m -95.85 124.74 40.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.932 -0.576 . . . . 15.0 109.759 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.46 141.11 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.293 0.568 . . . . 15.0 110.921 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.496 ' HD1' ' HB2' ' A' ' 463' ' ' LEU . 22.0 m95 -105.07 95.57 5.93 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 173.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.94 121.31 31.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.668 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 123.0 33.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.177 0.513 . . . . 15.0 111.261 -175.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.73 121.96 36.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.371 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -108.27 117.3 33.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.593 0.711 . . . . 15.0 110.854 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.455 HG21 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -89.92 149.5 22.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.411 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -7.26 6.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.393 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.79 -13.98 62.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 15.0 110.143 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 34.82 7.73 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.702 -0.681 . . . . 15.0 112.029 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.455 ' O ' HG21 ' A' ' 440' ' ' THR . 29.6 mtmm -132.07 129.45 39.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.282 . . . . 15.0 110.855 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.7 m -101.75 105.59 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.26 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.705 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.4 p90 -106.49 123.27 47.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.394 0.616 . . . . 15.0 110.756 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.18 117.14 28.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.281 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 15.0 109.84 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.642 HD21 ' HB2' ' A' ' 451' ' ' ARG . 5.3 p-10 -123.7 130.85 53.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 15.0 110.736 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.25 -8.71 57.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.919 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.642 ' HB2' HD21 ' A' ' 449' ' ' ASN . 41.5 mtp180 -60.13 -45.18 93.88 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.038 0.447 . . . . 15.0 110.881 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -6.04 15.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.35 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 58.2 29.29 17.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.468 0.651 . . . . 15.0 109.38 -169.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -130.66 150.22 51.95 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.376 -0.829 . . . . 15.0 110.38 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.6 p -95.35 113.6 25.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.504 176.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -97.84 130.16 44.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 15.0 110.551 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -86.13 6.44 29.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 15.0 110.327 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.28 125.21 50.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.333 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.63 116.52 18.58 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-O 120.972 0.415 . . . . 15.0 111.457 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -89.33 135.71 2.68 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.283 2.656 . . . . 15.0 112.056 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.54 3.45 40.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.435 -0.348 . . . . 15.0 111.675 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.436 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 19.6 mm-40 -68.79 -39.51 80.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.796 0.331 . . . . 15.0 110.496 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.496 ' HB2' ' HD1' ' A' ' 435' ' ' TRP . 24.9 tp -78.59 101.51 7.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 7.4 ptpp? . . . . . 0 C--O 1.246 0.921 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.949 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.012 0.434 . . . . 15.0 111.324 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.48 113.64 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.497 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.2 m -78.62 119.18 21.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -78.13 -5.05 50.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.562 -174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.635 ' HB2' HD11 ' A' ' 463' ' ' LEU . 8.2 m95 -117.78 110.38 17.74 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.9 m -99.31 121.94 41.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.79 0.329 . . . . 15.0 110.567 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 84.9 tt0 -91.95 122.0 34.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.665 -173.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -118.51 126.63 52.44 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 172.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.83 122.01 42.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 15.0 110.734 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 444' ' ' LYS . 9.9 t -90.59 150.07 21.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.2 -0.33 3.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.829 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.52 -5.46 56.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.316 0.579 . . . . 15.0 109.762 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.99 10.36 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.749 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.459 ' O ' HG21 ' A' ' 440' ' ' THR . 51.0 mtpt -133.63 130.75 38.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.62 0.248 . . . . 15.0 110.602 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 p -104.3 118.56 36.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.464 -0.335 . . . . 15.0 110.299 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.62 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.5 p90 -111.32 123.57 50.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 15.0 110.469 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 455' ' ' SER . 13.9 m-85 -92.75 114.15 26.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 15.0 110.359 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.53 126.78 35.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -136.45 146.96 46.94 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.147 -0.478 . . . . 15.0 110.723 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -86.15 2.46 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.149 -0.932 . . . . 15.0 111.423 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -82.72 -43.36 16.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.855 0.36 . . . . 15.0 110.274 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.58 ' HG1' ' HG2' ' A' ' 454' ' ' GLU . 21.4 p -109.46 0.1 19.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.402 173.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.62 33.16 21.93 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.016 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.58 ' HG2' ' HG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -149.96 150.37 31.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.079 -173.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 13.2 p -91.03 116.38 28.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.824 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.4 t -96.49 150.0 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.447 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.36 -2.69 57.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.757 0.313 . . . . 15.0 111.426 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.9 mt-10 -86.57 149.08 25.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.513 176.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -92.14 107.15 20.99 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.429 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 29.7 Cg_exo -62.19 139.18 76.61 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.378 2.718 . . . . 15.0 113.274 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -94.37 -13.0 26.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.559 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -86.35 2.72 46.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.394 176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 435' ' ' TRP . 6.4 tt -77.7 -24.23 49.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.687 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.54 -0.743 . . . . 15.0 111.061 -170.724 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.9 m95 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.638 -0.875 . . . . 15.0 108.638 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 5.6 m -93.41 135.6 34.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.736 0.303 . . . . 15.0 110.902 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.8 109.86 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.434 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -120.66 115.24 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.907 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -115.0 116.84 29.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 t -90.05 149.95 22.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.094 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.06 15.01 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.806 0.692 . . . . 15.0 111.839 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.65 -13.01 61.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.488 0.661 . . . . 15.0 110.546 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 33.36 8.65 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.93 -0.653 . . . . 15.0 111.834 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -122.47 122.42 38.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.765 0.316 . . . . 15.0 110.738 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.1 p -96.57 104.61 16.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.089 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 8.6 p90 -105.02 117.48 34.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.583 0.706 . . . . 15.0 110.168 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 71.5 m-85 -89.92 114.19 25.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.042 -0.981 . . . . 15.0 110.417 -177.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -90.06 120.34 31.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.885 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -127.61 147.56 50.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.0 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.08 5.6 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -76.48 -42.38 43.8 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.087 0.47 . . . . 15.0 110.306 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.0 p -113.77 -0.06 14.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.478 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.39 29.46 18.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.201 0.524 . . . . 15.0 109.824 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -129.56 145.16 51.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.185 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.547 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 11.1 p -91.17 109.95 21.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.568 171.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -97.13 143.78 27.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.7 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -93.74 4.25 54.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 15.0 110.462 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.12 120.5 39.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.923 -0.581 . . . . 15.0 109.538 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -61.22 119.93 50.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.28 125.99 19.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.176 2.584 . . . . 15.0 113.051 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.3 -12.15 61.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.831 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.841 0.353 . . . . 15.0 110.869 178.285 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.782 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 13.8 m95 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -91.13 112.82 24.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.0 0.429 . . . . 15.0 111.276 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.8 pt-20 -90.0 106.14 18.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.503 0.668 . . . . 15.0 111.779 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.41 117.8 31.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.59 118.1 31.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.197 0.522 . . . . 15.0 110.385 -177.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.1 t -104.28 150.25 24.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.608 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.88 -4.91 10.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.21 0.528 . . . . 15.0 110.795 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -71.65 -5.67 35.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.102 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.73 10.46 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 115.892 -0.595 . . . . 15.0 111.838 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.67 ' HD3' ' HE2' ' A' ' 457' ' ' PHE . 80.1 mttt -139.04 135.23 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.91 0.385 . . . . 15.0 111.585 -172.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 439' ' ' LYS . 3.4 p -109.89 92.67 4.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.646 170.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 47.5 p90 -92.41 122.59 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.393 0.615 . . . . 15.0 110.949 -177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 8.7 m-85 -92.48 111.97 23.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.009 -0.996 . . . . 15.0 110.08 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -90.05 125.79 35.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 451' ' ' ARG . 28.7 p-10 -121.66 148.41 44.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.972 -178.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -83.63 -9.08 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.069 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.582 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 20.1 ttm180 -70.36 -40.93 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.543 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 1.2 m -117.59 -2.14 11.52 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.993 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.9 mt 56.67 32.88 21.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.076 0.465 . . . . 15.0 110.304 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.436 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 56.5 mm-40 -129.76 149.94 51.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 15.0 112.118 -170.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 446' ' ' TYR . 16.5 m -99.47 109.13 21.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.4 171.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.1 t -91.7 137.79 32.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.887 0.375 . . . . 15.0 110.675 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.67 ' HE2' ' HD3' ' A' ' 444' ' ' LYS . 87.9 m-85 -90.09 -2.94 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.23 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.16 140.29 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.32 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -74.16 114.96 38.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.433 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.7 150.4 62.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.685 2.923 . . . . 15.0 114.194 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -79.32 -16.94 55.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.15 -0.932 . . . . 15.0 111.376 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.782 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.7 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 15.0 110.988 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 15.4 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.119 -0.697 . . . . 15.0 109.119 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.2 t -111.98 121.41 44.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.169 0.509 . . . . 15.0 110.044 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 1.2 pm0 -94.5 119.79 33.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 15.0 111.379 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.07 129.09 54.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.456 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -100.86 123.64 45.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.937 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -90.17 148.78 22.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -18.29 43.55 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.531 0.519 . . . . 15.0 111.67 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.02 -13.13 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.816 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 38.54 6.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.907 -0.663 . . . . 15.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 29.8 mtmm -132.82 124.89 28.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.857 0.36 . . . . 15.0 110.677 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.0 m -94.89 106.59 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.024 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 42.1 p90 -96.79 119.89 36.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.371 0.605 . . . . 15.0 110.275 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 42.2 m-85 -92.62 113.4 25.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.238 -0.892 . . . . 15.0 110.026 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.93 117.37 28.69 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.581 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 8.4 p30 -123.25 143.42 50.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.349 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.517 ' HA ' HD13 ' A' ' 453' ' ' LEU . 2.8 p-10 -83.56 5.69 23.25 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.628 175.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.7 ttm180 -61.18 -55.88 27.15 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 173.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -114.5 0.27 13.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.883 -0.599 . . . . 15.0 112.054 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mm? 65.16 29.19 12.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.489 0.661 . . . . 15.0 109.642 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -127.77 143.07 51.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.985 -1.007 . . . . 15.0 109.743 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.443 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 11.4 t -90.4 120.99 31.98 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.921 -0.4 . . . . 15.0 109.921 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -120.5 146.67 46.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.243 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -90.3 4.69 50.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 15.0 111.215 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.83 144.53 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.754 -0.462 . . . . 15.0 109.754 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.91 112.46 52.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.77 145.2 97.41 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.507 2.804 . . . . 15.0 112.942 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -108.09 -7.56 16.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.426 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.965 177.458 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.736 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 33.3 m95 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 109.937 -0.394 . . . . 15.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.4 p -102.24 130.06 48.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.644 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 46.8 mt-10 -89.9 115.17 27.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.688 0.28 . . . . 15.0 111.234 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.22 110.46 21.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.622 ' HB3' HG22 ' A' ' 445' ' ' THR . 24.9 pttm -109.86 117.13 33.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.427 0.632 . . . . 15.0 111.447 -173.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.537 ' CG2' ' HB2' ' A' ' 444' ' ' LYS . 5.7 t -101.12 150.17 23.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.298 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.52 -6.41 7.4 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.069 0.396 . . . . 15.0 112.069 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.55 -3.06 25.48 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.408 0.623 . . . . 15.0 110.327 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 23.06 37.63 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.516 -0.634 . . . . 15.0 111.516 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.537 ' HB2' ' CG2' ' A' ' 440' ' ' THR . 44.0 mmtm -116.97 120.93 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.998 0.428 . . . . 15.0 110.899 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 439' ' ' LYS . 13.1 p -105.08 94.92 5.5 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.232 -0.655 . . . . 15.0 109.232 170.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 28.6 p90 -97.37 119.3 35.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.634 0.731 . . . . 15.0 110.438 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.644 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 8.9 m-85 -89.77 118.36 29.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.851 -1.068 . . . . 15.0 110.437 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -90.13 112.71 24.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 10.1 p30 -114.46 144.07 43.93 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.646 -0.707 . . . . 15.0 110.749 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 453' ' ' LEU . 9.6 p30 -85.05 3.76 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.792 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 14.5 ttt180 -67.24 -59.76 3.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.303 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.8 p -112.88 0.51 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.73 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.5 mm? 63.25 57.79 1.5 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.132 0.491 . . . . 15.0 110.999 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.07 150.21 31.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.816 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 15.6 m -95.27 104.47 16.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.597 -0.52 . . . . 15.0 109.597 173.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -108.72 150.06 28.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.819 0.342 . . . . 15.0 110.916 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -87.96 1.06 55.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.388 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.58 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 11.4 pt-20 -84.23 139.39 32.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.384 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -96.05 100.33 6.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 6.0 Cg_exo -79.43 139.02 14.25 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.649 2.232 . . . . 15.0 112.5 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.67 4.0 4.45 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.748 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.736 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.6 mm-40 . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.228 0.537 . . . . 15.0 109.921 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 28.2 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.792 -0.447 . . . . 15.0 109.792 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 29.1 m -101.88 124.18 47.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 15.0 110.412 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.674 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.6 pt-20 -89.83 128.55 36.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.125 0.488 . . . . 15.0 111.473 -175.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.17 115.23 23.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 439' ' ' LYS . 8.3 ptpp? -97.51 120.51 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.392 -174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 442' ' ' ASP . 4.0 t -96.93 150.08 21.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.972 177.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.77 -6.09 2.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 440' ' ' THR . 18.3 t70 -64.67 -16.44 62.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.188 0.518 . . . . 15.0 110.513 173.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.96 18.94 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.183 -1.167 . . . . 15.0 110.183 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB3' ' CG2' ' A' ' 440' ' ' THR . 0.1 OUTLIER -125.04 131.91 53.29 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.765 -0.717 . . . . 15.0 110.327 -173.712 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.6 p -114.14 99.23 7.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.418 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -96.97 129.59 44.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 15.0 110.036 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 49.2 m-85 -96.9 117.16 30.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.832 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.75 122.78 33.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.406 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.48 ' OD1' HG22 ' A' ' 452' ' ' THR . 9.3 p30 -133.54 143.49 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.624 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -83.99 -1.98 55.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -67.44 -52.13 43.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 15.0 110.307 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 454' ' ' GLU . 12.4 t -106.16 -0.11 24.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 62.74 30.78 16.8 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.893 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 452' ' ' THR . 36.8 tt0 -147.13 149.91 33.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.549 -0.296 . . . . 15.0 110.764 -172.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.0 m -89.81 113.15 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.002 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -98.92 147.36 25.05 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.498 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -94.14 0.67 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 15.0 109.953 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -107.32 121.87 45.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.258 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.36 117.47 66.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.995 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.61 150.28 11.48 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.846 2.364 . . . . 15.0 112.007 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.33 3.34 7.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.402 0.62 . . . . 15.0 110.751 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 15.0 110.25 175.843 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 57.9 m95 . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.172 -0.307 . . . . 15.0 110.172 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 448' ' ' TYR . 21.8 p -100.27 109.05 21.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.83 106.16 18.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.464 0.65 . . . . 15.0 110.887 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.43 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 93.1 m-85 -104.21 111.68 24.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.116 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -96.47 105.27 17.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.829 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.533 ' CG2' ' HG2' ' A' ' 444' ' ' LYS . 8.7 t -97.47 145.46 26.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.196 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.11 -1.39 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' A' ' 444' ' ' LYS . 21.3 t0 -73.55 -2.1 21.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.476 0.655 . . . . 15.0 109.812 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 34.58 7.99 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.628 -0.714 . . . . 15.0 112.388 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.533 ' HG2' ' CG2' ' A' ' 440' ' ' THR . 0.0 OUTLIER -150.08 136.15 18.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 15.0 111.601 178.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.9 p -100.05 108.21 20.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.892 -0.595 . . . . 15.0 109.756 170.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 34.4 p90 -101.93 118.67 37.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.667 0.746 . . . . 15.0 110.474 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.0 m-85 -96.32 111.67 23.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.927 -1.033 . . . . 15.0 109.679 -178.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.471 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 67.0 t80 -89.85 119.85 30.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.013 0.435 . . . . 15.0 110.137 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.524 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -123.86 144.24 49.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.776 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -84.26 4.47 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.188 -0.915 . . . . 15.0 110.0 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -69.3 -51.63 35.3 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.859 0.361 . . . . 15.0 110.04 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 454' ' ' GLU . 13.6 t -110.2 -0.05 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.937 175.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.05 30.83 9.36 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.05 0.452 . . . . 15.0 110.461 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.603 ' HB2' HG23 ' A' ' 452' ' ' THR . 49.7 mt-10 -138.0 150.11 46.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.622 -173.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 20.4 t -95.23 118.36 31.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.734 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -111.82 144.47 41.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 97.7 m-85 -89.34 -2.23 58.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 15.0 110.613 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.55 135.61 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.002 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.7 111.07 22.92 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.9 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.38 133.36 57.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.408 2.739 . . . . 15.0 113.367 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -76.77 -20.84 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 15.0 110.172 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.225 -178.244 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 35.0 m95 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.869 0.366 . . . . 15.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 14.1 m -107.63 114.76 28.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.201 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.1 pt-20 -89.92 130.04 36.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 15.0 112.276 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 89.8 m-85 -127.01 128.21 46.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.23 172.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.711 ' HB3' HG22 ' A' ' 445' ' ' THR . 0.0 OUTLIER -103.06 123.59 46.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.167 0.508 . . . . 15.0 111.088 177.193 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.1 t -90.04 150.35 22.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -11.55 6.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.275 -0.42 . . . . 15.0 112.044 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.4 -12.46 60.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.372 0.606 . . . . 15.0 110.38 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 30.35 13.0 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HE2' ' CD2' ' A' ' 457' ' ' PHE . 80.5 tttt -131.82 128.17 38.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.91 0.386 . . . . 15.0 110.132 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.711 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.2 p -101.31 125.96 48.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.226 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 457' ' ' PHE . 50.6 p90 -121.69 132.2 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 15.0 110.748 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 18.3 m-85 -98.91 112.79 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.476 -0.783 . . . . 15.0 110.051 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.87 119.22 30.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -118.4 133.52 55.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.408 0.623 . . . . 15.0 111.568 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.88 -3.4 31.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.901 -1.045 . . . . 15.0 110.594 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -60.07 -52.16 66.53 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.148 0.499 . . . . 15.0 110.383 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.921 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -118.33 0.4 11.67 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.877 -0.601 . . . . 15.0 112.127 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.7 mp 64.87 39.48 5.97 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.313 0.577 . . . . 15.0 110.749 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.921 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.1 OUTLIER -128.29 150.09 50.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.829 . . . . 15.0 109.824 -176.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.6 m -103.19 108.3 19.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.7 t -96.54 122.85 39.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.269 0.557 . . . . 15.0 110.783 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 444' ' ' LYS . 91.9 m-85 -82.7 -3.23 56.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.431 0.634 . . . . 15.0 109.667 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -99.49 122.84 43.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.093 -0.958 . . . . 15.0 109.201 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.65 117.85 59.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.209 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -71.87 138.21 31.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.656 2.237 . . . . 15.0 111.754 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -7.45 56.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.839 -174.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 111.77 0.285 . . . . 15.0 111.77 -177.218 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.71 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 19.3 m95 . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 448' ' ' TYR . 11.3 t -99.66 120.33 39.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 15.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.1 pt-20 -95.03 117.92 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.495 0.664 . . . . 15.0 111.788 -176.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.476 ' HE1' ' HG1' ' A' ' 436' ' ' THR . 40.0 m-85 -112.91 115.02 27.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.868 . . . . 15.0 108.788 172.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 12.2 ptmm? -101.73 126.36 48.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.497 0.665 . . . . 15.0 111.524 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -94.41 149.77 20.92 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.385 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 -7.9 11.41 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.208 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.66 -15.01 62.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.29 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.11 7.74 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.616 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -133.09 128.34 35.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 15.0 110.685 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 3.6 m -103.78 98.87 8.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 15.0 109.956 177.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 38.8 p90 -95.96 122.8 39.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.718 0.771 . . . . 15.0 110.784 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 22.6 m-85 -89.85 122.03 32.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.796 -1.093 . . . . 15.0 109.407 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 436' ' ' THR . 20.4 t80 -90.25 107.77 19.35 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.94 -0.763 . . . . 15.0 108.94 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -117.35 124.55 49.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.544 -0.753 . . . . 15.0 111.092 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -75.31 -5.95 47.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -60.02 -50.09 75.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.747 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.498 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.1 OUTLIER -113.93 0.18 14.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.791 -0.641 . . . . 15.0 112.169 175.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.4 mt 65.27 28.17 12.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.725 0.41 . . . . 15.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 0.3 OUTLIER -138.36 150.2 46.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.295 -175.467 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.8 m -90.74 114.66 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 15.0 111.305 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.6 t -98.33 145.52 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.478 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 99.2 m-85 -97.68 3.97 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.478 . . . . 15.0 110.241 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -101.56 123.71 46.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.004 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -61.96 113.69 9.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.109 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.22 141.4 6.96 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.179 2.586 . . . . 15.0 112.626 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -83.07 2.71 33.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.77 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.71 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 4.4 mm-40 . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 15.0 110.228 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 69.6 m95 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -95.7 118.74 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.92 0.391 . . . . 15.0 110.423 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.13 108.6 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.687 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -107.55 110.62 22.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.223 -0.658 . . . . 15.0 109.223 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -105.31 125.1 50.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.237 0.541 . . . . 15.0 110.53 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -108.04 150.36 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.94 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.49 -5.2 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -71.01 -9.12 57.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.44 0.638 . . . . 15.0 110.355 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 34.21 8.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.803 -0.713 . . . . 15.0 111.664 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -131.68 126.83 35.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.755 0.312 . . . . 15.0 111.094 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 48.1 p -108.69 100.44 9.68 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 171.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -100.62 114.37 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.725 0.774 . . . . 15.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -96.08 118.94 33.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.467 -1.242 . . . . 15.0 109.632 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -89.93 121.35 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.191 0.52 . . . . 15.0 109.611 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -125.72 141.43 52.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.825 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.527 ' HA ' HD13 ' A' ' 453' ' ' LEU . 17.7 p-10 -80.53 3.12 22.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.569 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.0 -50.87 25.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 121.166 0.507 . . . . 15.0 110.051 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -108.75 -0.21 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.218 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mm? 60.18 26.9 16.34 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.525 0.678 . . . . 15.0 109.927 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -123.61 145.34 48.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.781 -1.1 . . . . 15.0 110.96 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 t -91.63 106.93 18.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 t -101.9 133.11 47.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 15.0 111.1 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -83.24 3.18 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.967 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -101.73 145.09 29.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -80.62 116.32 61.27 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.597 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.95 130.91 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.568 2.179 . . . . 15.0 112.195 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -77.98 -15.82 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.344 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.768 178.12 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 22.2 m95 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 m -89.68 115.94 27.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.959 0.409 . . . . 15.0 110.824 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 439' ' ' LYS . 1.3 tt0 -90.23 121.15 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.668 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 86.5 m-85 -110.55 110.2 20.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 15.0 109.54 172.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB2' ' OE2' ' A' ' 437' ' ' GLU . 4.6 ttmp? -92.21 111.08 22.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.478 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.1 t -93.88 146.96 23.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.285 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.3 -1.64 2.51 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.795 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.48 -11.12 60.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.495 0.664 . . . . 15.0 109.73 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.79 8.58 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.662 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 440' ' ' THR . 29.1 mtmm -138.1 127.39 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.403 . . . . 15.0 111.203 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 p -98.98 106.69 18.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.288 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 52.3 p90 -103.18 123.98 47.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.478 0.656 . . . . 15.0 110.744 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.14 110.58 21.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.159 -0.928 . . . . 15.0 109.443 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -90.21 126.81 35.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.301 0.572 . . . . 15.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -129.85 141.66 50.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.334 -0.848 . . . . 15.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -87.98 5.92 38.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.367 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -68.62 -54.91 13.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.308 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.8 m -105.46 -0.52 25.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.136 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.4 mp 62.88 31.98 16.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.405 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.761 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 15.6 pt-20 -134.81 149.83 50.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.319 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.7 p -94.79 109.66 21.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.191 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.7 t -101.45 139.37 37.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.169 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 94.0 m-85 -90.58 0.33 57.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.066 0.46 . . . . 15.0 110.619 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.51 135.62 39.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.753 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -77.29 121.68 84.92 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.23 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.87 148.96 35.55 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.403 2.736 . . . . 15.0 113.123 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -91.77 -16.57 26.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.629 . . . . 15.0 110.339 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.607 179.03 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.8 m95 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.836 0.35 . . . . 15.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 22.8 p -106.74 134.13 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.818 175.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 13.0 pt-20 -91.01 101.53 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.538 0.685 . . . . 15.0 111.181 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -107.89 96.24 6.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.427 0.632 . . . . 15.0 109.934 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.833 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -99.25 107.46 19.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.741 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -95.73 146.47 24.49 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.515 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.88 1.97 2.29 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.483 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.1 -10.08 57.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.649 0.738 . . . . 15.0 109.378 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 30.97 11.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.186 -0.915 . . . . 15.0 112.261 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 457' ' ' PHE . 14.6 pttm -150.04 137.11 19.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 15.0 111.119 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.1 m -101.22 123.03 44.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 32.5 p90 -113.43 117.49 31.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.708 0.766 . . . . 15.0 110.467 175.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 436' ' ' THR . 42.6 m-85 -90.12 113.42 25.17 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.802 -1.09 . . . . 15.0 109.203 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -90.27 118.37 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 15.0 110.209 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.601 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 33.5 p-10 -112.32 137.57 50.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 15.0 111.286 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -76.98 1.23 18.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.057 172.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.599 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 41.8 ttm180 -71.4 -51.2 25.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.445 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.7 p -115.78 0.33 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 15.0 112.225 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.2 mp 64.78 32.08 11.31 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.511 0.672 . . . . 15.0 109.621 -175.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.802 -1.09 . . . . 15.0 111.078 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -105.2 93.38 4.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 169.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -95.15 141.91 28.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.95 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 83.5 m-85 -91.26 8.35 36.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 15.0 110.424 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -102.18 135.73 43.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.726 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -71.97 118.85 70.65 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.968 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.93 136.67 53.99 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.02 2.48 . . . . 15.0 112.298 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.39 -20.19 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.212 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.939 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.974 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 42.1 m95 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 108.887 -0.783 . . . . 15.0 108.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 4.6 m -97.48 128.06 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.895 -0.322 . . . . 15.0 110.384 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.82 107.19 18.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.817 0.341 . . . . 15.0 111.214 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -109.94 121.29 44.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 174.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 445' ' ' THR . 14.4 pttm -120.34 119.68 33.82 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.274 -174.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 444' ' ' LYS . 6.1 t -89.97 150.26 22.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.963 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.07 -0.71 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.3 0.482 . . . . 15.0 112.3 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.29 -8.5 57.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.384 0.612 . . . . 15.0 110.024 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 37.79 6.65 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.325 -0.71 . . . . 15.0 111.325 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB2' HG22 ' A' ' 440' ' ' THR . 22.1 mtpp -124.64 118.12 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 439' ' ' LYS . 1.3 p -98.92 104.62 16.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.688 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 18.8 p90 -113.06 120.66 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 15.0 110.754 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 436' ' ' THR . 49.4 m-85 -90.42 116.28 28.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.029 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.31 125.06 35.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.663 -0.699 . . . . 15.0 109.873 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.689 HD21 HG22 ' A' ' 452' ' ' THR . 36.0 p-10 -117.12 138.74 51.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.324 0.583 . . . . 15.0 111.091 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.96 -4.36 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 15.0 109.633 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.667 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 35.3 mtp180 -66.46 -54.2 26.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.731 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.689 HG22 HD21 ' A' ' 449' ' ' ASN . 15.3 t -114.11 0.04 14.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.786 0.291 . . . . 15.0 111.786 174.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 67.43 36.11 3.98 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.817 0.447 . . . . 15.0 110.784 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.511 ' HB2' HG23 ' A' ' 452' ' ' THR . 52.2 mt-10 -138.14 150.07 46.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 15.0 111.319 -173.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.2 m -102.78 120.11 40.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.821 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 9.8 t -115.04 145.87 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.3 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.412 ' CE2' ' HE3' ' A' ' 444' ' ' LYS . 95.8 m-85 -88.53 0.03 56.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 15.0 111.455 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 13.2 pt-20 -100.82 150.01 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.88 110.11 37.41 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.342 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 4.5 Cg_exo -79.49 140.42 15.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.896 2.398 . . . . 15.0 111.873 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -79.74 7.01 9.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.217 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.974 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 16.9 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.945 0.402 . . . . 15.0 110.87 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 25.9 m95 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 46.0 p -90.5 132.2 35.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.874 0.369 . . . . 15.0 110.395 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -93.99 108.34 20.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.074 0.464 . . . . 15.0 110.474 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -126.32 119.44 27.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.73 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 445' ' ' THR . 18.4 pttm -119.36 131.12 55.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.139 0.495 . . . . 15.0 111.531 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.2 t -100.19 149.06 23.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.724 175.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.68 8.93 0.42 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.447 0.536 . . . . 15.0 112.447 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.44 -3.37 52.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.571 . . . . 15.0 109.64 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 27.73 20.07 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.865 -0.683 . . . . 15.0 111.678 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.414 ' HE2' ' CE2' ' A' ' 457' ' ' PHE . 55.8 mtpt -134.81 124.34 24.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.704 0.288 . . . . 15.0 110.917 -175.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.525 HG23 ' HB3' ' A' ' 439' ' ' LYS . 4.5 m -103.45 119.1 38.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.276 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 23.4 p90 -110.31 115.78 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.694 0.759 . . . . 15.0 110.633 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 436' ' ' THR . 82.8 m-85 -90.35 112.25 23.76 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.025 -0.988 . . . . 15.0 109.88 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -90.17 120.84 31.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.507 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 36.8 p-10 -111.16 144.11 40.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.884 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.9 p30 -82.54 -3.68 56.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.522 172.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.441 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 33.3 ttm180 -71.04 -62.81 1.26 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.672 -0.695 . . . . 15.0 110.69 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.451 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 14.0 p -104.54 0.2 28.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 15.0 110.912 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 450' ' ' ASN . 96.1 mt 61.07 58.92 2.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.903 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.16 150.07 31.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.213 0.53 . . . . 15.0 111.353 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.9 p -97.55 100.69 12.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 173.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.8 t -94.7 133.31 38.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 110.445 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 445' ' ' THR . 96.0 m-85 -84.55 -1.14 55.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.996 0.427 . . . . 15.0 111.033 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -96.45 125.04 40.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.39 117.85 28.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 15.0 111.691 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.44 123.95 13.35 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.764 2.31 . . . . 15.0 111.761 176.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.04 -8.51 56.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 15.0 111.397 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.711 0.291 . . . . 15.0 111.282 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.9 m95 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.866 -0.79 . . . . 15.0 108.866 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -89.94 123.45 33.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.846 0.355 . . . . 15.0 111.004 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 34.3 mt-10 -89.98 115.59 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.929 -175.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -121.89 121.99 38.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.33 -0.396 . . . . 15.0 110.915 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 445' ' ' THR . 21.5 tptm -95.34 109.28 21.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 174.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.1 t -92.58 148.65 21.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.828 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.23 1.18 1.65 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.237 0.541 . . . . 15.0 111.079 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.5 -7.7 49.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.436 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 26.47 23.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.376 -0.829 . . . . 15.0 112.339 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -145.98 139.09 25.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 15.0 111.591 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.569 HG23 ' HD3' ' A' ' 439' ' ' LYS . 3.7 p -92.93 114.66 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.18 173.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -107.77 135.0 49.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.41 0.624 . . . . 15.0 110.209 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 5.6 m-85 -99.89 115.19 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.24 -0.891 . . . . 15.0 109.999 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -90.03 121.83 32.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.26 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 5.4 p30 -120.76 137.56 54.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.139 0.495 . . . . 15.0 111.356 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.488 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.5 p-10 -80.83 -3.21 50.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.342 -0.844 . . . . 15.0 110.175 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.93 -57.77 11.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.556 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.1 p -114.89 0.18 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.683 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 450' ' ' ASN . 93.9 mt 61.96 55.78 2.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.464 0.65 . . . . 15.0 110.629 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -138.78 150.15 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.2 -0.909 . . . . 15.0 110.278 -176.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.6 m -98.93 106.51 18.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.8 t -99.73 150.11 22.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.76 -176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -100.33 5.01 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.02 0.438 . . . . 15.0 110.888 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 140.55 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.679 -0.489 . . . . 15.0 109.679 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.85 108.28 8.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.627 -0.26 . . . . 15.0 110.642 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.1 Cg_exo -64.68 137.3 53.6 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.933 2.422 . . . . 15.0 112.959 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -91.62 -9.52 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.623 0.725 . . . . 15.0 109.764 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.737 174.589 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.431 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 41.2 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.199 -0.667 . . . . 15.0 109.199 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 1.7 m -90.18 136.97 32.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.392 . . . . 15.0 111.459 -173.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -90.0 106.87 18.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.768 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -126.57 115.82 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 15.0 110.642 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -109.84 127.31 54.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.55 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -96.13 144.03 26.73 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 110.098 -0.334 . . . . 15.0 110.098 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.45 -5.56 5.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.585 -0.734 . . . . 15.0 111.551 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.92 -9.71 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.242 0.544 . . . . 15.0 110.469 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 36.52 7.09 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.936 -0.575 . . . . 15.0 112.297 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.01 138.72 20.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.066 0.46 . . . . 15.0 110.861 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.9 m -98.41 136.37 38.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.666 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 23.1 p90 -127.38 120.88 29.48 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.768 0.794 . . . . 15.0 110.071 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.5 m-85 -93.3 111.12 22.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.182 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -93.63 124.6 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.271 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -121.1 139.47 53.29 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.059 0.457 . . . . 15.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.475 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.2 p-10 -83.63 2.05 39.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.095 -0.957 . . . . 15.0 110.121 177.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.81 -62.53 1.8 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.309 0.576 . . . . 15.0 109.954 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -111.02 0.53 16.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.392 -0.822 . . . . 15.0 111.235 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 450' ' ' ASN . 89.9 mt 68.93 35.38 2.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.353 0.597 . . . . 15.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 452' ' ' THR . 43.7 mt-10 -126.99 149.93 49.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.318 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 27.9 t -105.36 117.67 34.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.903 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.2 t -104.25 133.77 48.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.663 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.62 -0.4 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.283 0.563 . . . . 15.0 109.956 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -110.17 140.31 44.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.333 -0.849 . . . . 15.0 109.706 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -74.96 120.83 83.53 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.853 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.57 147.12 35.47 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.879 2.386 . . . . 15.0 112.231 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -70.42 -10.66 59.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.508 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.431 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 12.0 mp0 . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 121.037 -0.265 . . . . 15.0 111.232 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 460' ' ' PRO . 23.4 m95 . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.9 p -101.64 114.04 27.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.492 -0.322 . . . . 15.0 110.53 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.3 pt-20 -89.94 122.04 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.392 0.615 . . . . 15.0 110.952 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -106.22 120.4 41.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.443 -0.799 . . . . 15.0 109.368 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 445' ' ' THR . 0.2 OUTLIER -94.2 114.95 27.16 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.454 -0.793 . . . . 15.0 110.548 -174.248 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -92.82 143.93 25.78 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -13.92 25.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.984 -0.553 . . . . 15.0 111.527 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.66 -13.59 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.694 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 37.66 6.63 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.862 -0.608 . . . . 15.0 111.904 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 440' ' ' THR . 29.0 mtmm -132.87 141.43 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -122.74 113.68 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.084 -0.339 . . . . 15.0 110.084 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 51.4 p90 -105.75 126.02 51.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 15.0 110.433 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 52.8 m-85 -90.41 112.4 23.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.178 -0.919 . . . . 15.0 110.031 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.98 117.7 28.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.548 . . . . 15.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -135.17 141.71 45.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.375 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -89.99 -3.81 57.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.052 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.92 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.3 173.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 5.1 p -108.12 -0.02 21.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.632 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.47 27.14 13.5 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.777 0.431 . . . . 15.0 111.176 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.4 pt-20 -127.26 150.1 49.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.921 0.391 . . . . 15.0 110.955 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.4 m -96.64 100.43 11.99 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 169.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -90.1 126.15 35.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 15.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -80.69 -6.88 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.522 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -99.01 131.5 45.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.352 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -70.16 117.14 51.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 O-C-N 123.236 0.335 . . . . 15.0 111.672 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HG2' ' CE3' ' A' ' 435' ' ' TRP . 24.1 Cg_exo -65.33 139.24 58.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.851 2.368 . . . . 15.0 112.102 175.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.12 -12.14 61.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.348 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.457 176.799 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 46.2 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 m -90.02 116.1 27.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.921 0.391 . . . . 15.0 110.761 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.5 pt-20 -89.8 126.36 35.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.261 0.553 . . . . 15.0 111.177 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.87 109.53 19.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.3 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.8 ptpp? -90.22 107.69 19.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.378 0.609 . . . . 15.0 110.063 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -93.98 142.87 26.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.943 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.32 3.73 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.42 -4.29 14.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.97 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.97 15.9 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 115.54 -0.754 . . . . 15.0 112.799 173.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.727 ' HD2' ' CE2' ' A' ' 457' ' ' PHE . 14.0 pttp -150.31 136.93 19.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.349 0.595 . . . . 15.0 112.451 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.2 p -98.95 110.57 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.853 . . . . 15.0 109.955 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -109.98 129.96 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.405 0.622 . . . . 15.0 110.753 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.628 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 10.9 m-85 -95.8 117.27 30.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.972 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -99.23 127.81 45.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.599 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 451' ' ' ARG . 29.6 p-10 -122.64 143.64 49.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.32 0.581 . . . . 15.0 111.133 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.57 2.57 32.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.32 173.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB2' HD22 ' A' ' 449' ' ' ASN . 85.5 mtt180 -74.53 -45.36 46.21 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.463 -0.335 . . . . 15.0 111.143 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.2 p -116.56 0.23 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.527 0.566 . . . . 15.0 112.527 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 56.79 48.64 15.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.307 0.575 . . . . 15.0 110.153 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.78 150.03 36.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.822 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.0 p -99.44 109.28 21.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.723 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.6 t -99.89 139.65 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 15.0 110.128 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' PHE . . . . . 0.727 ' CE2' ' HD2' ' A' ' 444' ' ' LYS . 94.1 m-85 -93.46 1.04 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.25 0.548 . . . . 15.0 110.228 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -92.8 132.75 36.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.215 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -77.45 110.29 12.1 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.655 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.25 126.0 17.6 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.005 2.47 . . . . 15.0 112.512 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -85.2 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.696 -177.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m95 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -89.69 108.61 19.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.146 0.498 . . . . 15.0 110.828 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.0 pt-20 -92.72 126.73 37.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.499 -176.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 85.2 m-85 -123.08 130.28 52.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 173.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.628 ' HB3' HG22 ' A' ' 445' ' ' THR . 20.2 pttp -102.34 117.2 34.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.354 0.597 . . . . 15.0 110.936 178.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -89.7 150.07 22.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.568 -0.742 . . . . 15.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.99 -9.58 3.24 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.838 0.711 . . . . 15.0 111.758 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.24 -10.32 58.55 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.443 0.639 . . . . 15.0 110.013 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 34.75 7.9 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.732 175.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -143.94 135.06 25.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.922 0.391 . . . . 15.0 111.515 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 439' ' ' LYS . 4.7 p -98.17 119.52 36.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.977 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 46.6 p90 -111.38 124.53 52.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 15.0 110.454 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 14.8 m-85 -95.31 116.92 29.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.254 -0.884 . . . . 15.0 109.576 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -89.75 119.7 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.51 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 31.9 p-10 -114.01 136.26 53.1 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 15.0 110.958 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -74.01 -8.17 55.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.894 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 39.1 ttm180 -71.23 -46.88 60.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.878 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -111.58 -2.86 15.3 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.689 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mp 59.03 31.5 21.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.189 0.519 . . . . 15.0 109.745 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -132.86 150.24 52.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.635 -0.711 . . . . 15.0 111.058 -168.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -93.99 100.4 12.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.3 t -94.98 144.09 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 15.0 111.055 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -98.97 2.87 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.661 0.744 . . . . 15.0 109.822 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -95.88 121.52 37.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.103 -0.953 . . . . 15.0 110.011 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.546 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 9.3 mtpm? -64.16 120.38 63.91 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 15.0 110.655 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 60.0 Cg_endo -80.02 139.74 13.77 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.695 2.264 . . . . 15.0 111.982 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -71.38 -11.75 61.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 15.0 111.226 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.458 ' HG2' HH22 ' A' ' 451' ' ' ARG . 58.1 mp0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.12 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.451 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 22.0 m95 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.94 121.31 31.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.668 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 123.0 33.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.177 0.513 . . . . 15.0 111.261 -175.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.73 121.96 36.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.371 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 13.7 ptmm? -108.27 117.3 33.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.593 0.711 . . . . 15.0 110.854 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -89.92 149.5 22.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.411 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -7.26 6.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.393 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.79 -13.98 62.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 15.0 110.143 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 34.82 7.73 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.702 -0.681 . . . . 15.0 112.029 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -132.07 129.45 39.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.282 . . . . 15.0 110.855 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 1.7 m -101.75 105.59 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.26 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.4 p90 -106.49 123.27 47.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.394 0.616 . . . . 15.0 110.756 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.18 117.14 28.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.281 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 15.0 109.84 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.416 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 5.5 p30 -123.7 130.85 53.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 15.0 110.736 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.25 -8.71 57.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.919 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -60.13 -45.18 93.88 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.038 0.447 . . . . 15.0 110.881 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -6.04 15.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.35 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 453' ' ' LEU . 3.6 mm? 58.2 29.29 17.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.468 0.651 . . . . 15.0 109.38 -169.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -130.66 150.22 51.95 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.376 -0.829 . . . . 15.0 110.38 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.6 p -95.35 113.6 25.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.504 176.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -97.84 130.16 44.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 15.0 110.551 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -86.13 6.44 29.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 15.0 110.327 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.28 125.21 50.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.333 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.63 116.52 18.58 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-O 120.972 0.415 . . . . 15.0 111.457 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -89.33 135.71 2.68 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.283 2.656 . . . . 15.0 112.056 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.54 3.45 40.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.435 -0.348 . . . . 15.0 111.675 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 19.6 mm-40 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 120.796 0.331 . . . . 15.0 110.496 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.9 m -99.31 121.94 41.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.79 0.329 . . . . 15.0 110.567 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 84.9 tt0 -91.95 122.0 34.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.665 -173.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -118.51 126.63 52.44 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 172.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.83 122.01 42.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 15.0 110.734 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.9 t -90.59 150.07 21.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.2 -0.33 3.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.829 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.52 -5.46 56.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.316 0.579 . . . . 15.0 109.762 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.99 10.36 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.749 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' O ' HG22 ' A' ' 440' ' ' THR . 51.0 mtpt -133.63 130.75 38.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.62 0.248 . . . . 15.0 110.602 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 p -104.3 118.56 36.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.464 -0.335 . . . . 15.0 110.299 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.624 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.5 p90 -111.32 123.57 50.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 15.0 110.469 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 455' ' ' SER . 13.9 m-85 -92.75 114.15 26.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 15.0 110.359 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.53 126.78 35.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -136.45 146.96 46.94 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.147 -0.478 . . . . 15.0 110.723 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -86.15 2.46 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.149 -0.932 . . . . 15.0 111.423 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -82.72 -43.36 16.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.855 0.36 . . . . 15.0 110.274 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 21.4 p -109.46 0.1 19.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.402 173.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.62 33.16 21.93 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.016 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.412 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -149.96 150.37 31.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.079 -173.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.624 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 13.2 p -91.03 116.38 28.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.824 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.4 t -96.49 150.0 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.447 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.36 -2.69 57.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.757 0.313 . . . . 15.0 111.426 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.9 mt-10 -86.57 149.08 25.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.513 176.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -92.14 107.15 20.99 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.429 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 29.7 Cg_exo -62.19 139.18 76.61 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.378 2.718 . . . . 15.0 113.274 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -94.37 -13.0 26.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.559 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.394 176.503 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.641 0.257 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.66 122.53 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.273 0.559 . . . . 15.0 110.348 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.2 m -89.57 96.98 10.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.089 0.471 . . . . 15.0 110.627 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -84.02 -9.81 58.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.707 0.765 . . . . 15.0 109.288 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -102.19 112.72 25.5 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.074 -0.966 . . . . 15.0 108.638 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 5.6 m -93.41 135.6 34.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.736 0.303 . . . . 15.0 110.902 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.8 109.86 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.434 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -120.66 115.24 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.907 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -115.0 116.84 29.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 t -90.05 149.95 22.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.094 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.06 15.01 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.806 0.692 . . . . 15.0 111.839 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.65 -13.01 61.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.488 0.661 . . . . 15.0 110.546 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 33.36 8.65 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.93 -0.653 . . . . 15.0 111.834 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -122.47 122.42 38.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.765 0.316 . . . . 15.0 110.738 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.1 p -96.57 104.61 16.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.089 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 8.6 p90 -105.02 117.48 34.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.583 0.706 . . . . 15.0 110.168 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 71.5 m-85 -89.92 114.19 25.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.042 -0.981 . . . . 15.0 110.417 -177.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -90.06 120.34 31.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.885 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -127.61 147.56 50.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.0 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.08 5.6 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -76.48 -42.38 43.8 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.087 0.47 . . . . 15.0 110.306 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.0 p -113.77 -0.06 14.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.478 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.39 29.46 18.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.201 0.524 . . . . 15.0 109.824 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -129.56 145.16 51.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.185 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.547 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 11.1 p -91.17 109.95 21.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.568 171.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -97.13 143.78 27.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.7 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -93.74 4.25 54.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 15.0 110.462 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.12 120.5 39.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.923 -0.581 . . . . 15.0 109.538 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -61.22 119.93 50.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 57.4 Cg_exo -52.28 125.99 19.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.176 2.584 . . . . 15.0 113.051 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.3 -12.15 61.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.831 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -99.22 -3.18 34.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.841 0.353 . . . . 15.0 110.869 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.461 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 47.8 tp -87.36 99.1 11.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.954 0.406 . . . . 15.0 110.275 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 14.2 ttpp . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.638 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.734 0.302 . . . . 15.0 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.53 -1.19 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.748 0.785 . . . . 15.0 109.873 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -78.46 99.73 6.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.985 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.565 ' OE2' ' HB2' ' A' ' 451' ' ' ARG . 29.9 tt0 -81.92 -16.86 49.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.92 0.867 . . . . 15.0 109.101 173.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.782 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 13.8 m95 -109.55 106.7 16.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.746 -1.115 . . . . 15.0 108.777 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -91.13 112.82 24.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.0 0.429 . . . . 15.0 111.276 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.8 pt-20 -90.0 106.14 18.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.503 0.668 . . . . 15.0 111.779 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.41 117.8 31.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.59 118.1 31.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.197 0.522 . . . . 15.0 110.385 -177.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.1 t -104.28 150.25 24.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.608 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.88 -4.91 10.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.21 0.528 . . . . 15.0 110.795 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -71.65 -5.67 35.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.102 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.73 10.46 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 115.892 -0.595 . . . . 15.0 111.838 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.67 ' HD3' ' HE2' ' A' ' 457' ' ' PHE . 80.1 mttt -139.04 135.23 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.91 0.385 . . . . 15.0 111.585 -172.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 439' ' ' LYS . 3.4 p -109.89 92.67 4.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.646 170.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 47.5 p90 -92.41 122.59 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.393 0.615 . . . . 15.0 110.949 -177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 8.7 m-85 -92.48 111.97 23.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.009 -0.996 . . . . 15.0 110.08 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -90.05 125.79 35.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 451' ' ' ARG . 28.7 p-10 -121.66 148.41 44.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.972 -178.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -83.63 -9.08 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.069 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.582 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 20.1 ttm180 -70.36 -40.93 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.543 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 1.2 m -117.59 -2.14 11.52 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.993 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.9 mt 56.67 32.88 21.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.076 0.465 . . . . 15.0 110.304 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.436 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 56.5 mm-40 -129.76 149.94 51.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 15.0 112.118 -170.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 446' ' ' TYR . 16.5 m -99.47 109.13 21.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.4 171.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.1 t -91.7 137.79 32.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.887 0.375 . . . . 15.0 110.675 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.67 ' HE2' ' HD3' ' A' ' 444' ' ' LYS . 87.9 m-85 -90.09 -2.94 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.23 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.16 140.29 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.32 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -74.16 114.96 38.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.433 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.7 150.4 62.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.685 2.923 . . . . 15.0 114.194 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -79.32 -16.94 55.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.15 -0.932 . . . . 15.0 111.376 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.782 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.7 mm-40 -81.46 -4.61 56.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 15.0 110.988 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 38.0 tp -120.01 101.13 7.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.247 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.539 -0.743 . . . . 15.0 109.869 -179.611 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.545 0.212 . . . . 15.0 111.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.6 p -101.11 101.91 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 15.0 110.919 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.3 t -120.06 123.23 42.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.929 -0.578 . . . . 15.0 109.751 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.41 -14.11 60.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.207 0.527 . . . . 15.0 110.365 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.655 ' HB2' HD12 ' A' ' 463' ' ' LEU . 15.4 m95 -129.14 119.46 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.119 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.2 t -111.98 121.41 44.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.169 0.509 . . . . 15.0 110.044 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 1.2 pm0 -94.5 119.79 33.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 15.0 111.379 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.07 129.09 54.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.456 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -100.86 123.64 45.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.937 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -90.17 148.78 22.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -18.29 43.55 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.531 0.519 . . . . 15.0 111.67 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.02 -13.13 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.816 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 38.54 6.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.907 -0.663 . . . . 15.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 29.8 mtmm -132.82 124.89 28.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.857 0.36 . . . . 15.0 110.677 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.0 m -94.89 106.59 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.024 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 42.1 p90 -96.79 119.89 36.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.371 0.605 . . . . 15.0 110.275 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 42.2 m-85 -92.62 113.4 25.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.238 -0.892 . . . . 15.0 110.026 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.93 117.37 28.69 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.581 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 8.4 p30 -123.25 143.42 50.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.349 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.517 ' HA ' HD13 ' A' ' 453' ' ' LEU . 2.8 p-10 -83.56 5.69 23.25 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.628 175.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.7 ttm180 -61.18 -55.88 27.15 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 173.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -114.5 0.27 13.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.883 -0.599 . . . . 15.0 112.054 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mm? 65.16 29.19 12.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.489 0.661 . . . . 15.0 109.642 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -127.77 143.07 51.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.985 -1.007 . . . . 15.0 109.743 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.443 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 11.4 t -90.4 120.99 31.98 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.921 -0.4 . . . . 15.0 109.921 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -120.5 146.67 46.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.243 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -90.3 4.69 50.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 15.0 111.215 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.83 144.53 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.754 -0.462 . . . . 15.0 109.754 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.91 112.46 52.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.77 145.2 97.41 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.507 2.804 . . . . 15.0 112.942 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -108.09 -7.56 16.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.426 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -94.32 -0.88 54.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.965 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 435' ' ' TRP . 0.0 OUTLIER -107.6 11.86 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.741 -0.837 . . . . 15.0 108.741 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.222 -0.894 . . . . 15.0 110.429 179.313 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.237 0.541 . . . . 15.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.33 -38.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.336 -0.847 . . . . 15.0 110.317 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.6 m -111.74 121.42 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.585 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -70.45 -21.21 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.703 0.287 . . . . 15.0 110.814 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.736 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 33.3 m95 -130.76 114.26 15.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 15.0 109.937 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.4 p -102.24 130.06 48.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.644 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 46.8 mt-10 -89.9 115.17 27.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.688 0.28 . . . . 15.0 111.234 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.22 110.46 21.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.622 ' HB3' HG22 ' A' ' 445' ' ' THR . 24.9 pttm -109.86 117.13 33.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.427 0.632 . . . . 15.0 111.447 -173.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.537 ' CG2' ' HB2' ' A' ' 444' ' ' LYS . 5.7 t -101.12 150.17 23.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.298 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.52 -6.41 7.4 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.069 0.396 . . . . 15.0 112.069 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.55 -3.06 25.48 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.408 0.623 . . . . 15.0 110.327 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 23.06 37.63 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.516 -0.634 . . . . 15.0 111.516 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.537 ' HB2' ' CG2' ' A' ' 440' ' ' THR . 44.0 mmtm -116.97 120.93 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.998 0.428 . . . . 15.0 110.899 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 439' ' ' LYS . 13.1 p -105.08 94.92 5.5 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.232 -0.655 . . . . 15.0 109.232 170.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 28.6 p90 -97.37 119.3 35.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.634 0.731 . . . . 15.0 110.438 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.644 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 8.9 m-85 -89.77 118.36 29.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.851 -1.068 . . . . 15.0 110.437 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -90.13 112.71 24.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 10.1 p30 -114.46 144.07 43.93 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.646 -0.707 . . . . 15.0 110.749 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 453' ' ' LEU . 9.6 p30 -85.05 3.76 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.792 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 14.5 ttt180 -67.24 -59.76 3.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.303 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.8 p -112.88 0.51 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.73 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.5 mm? 63.25 57.79 1.5 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.132 0.491 . . . . 15.0 110.999 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.07 150.21 31.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.816 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 15.6 m -95.27 104.47 16.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.597 -0.52 . . . . 15.0 109.597 173.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -108.72 150.06 28.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.819 0.342 . . . . 15.0 110.916 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -87.96 1.06 55.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.388 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.58 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 11.4 pt-20 -84.23 139.39 32.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.384 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -96.05 100.33 6.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 6.0 Cg_exo -79.43 139.02 14.25 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.649 2.232 . . . . 15.0 112.5 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.67 4.0 4.45 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.748 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.736 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.6 mm-40 -76.15 -11.43 59.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.228 0.537 . . . . 15.0 109.921 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 435' ' ' TRP . 41.9 tp -85.12 143.67 28.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.863 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 464' ' ' LYS . 10.7 mptt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.398 -0.811 . . . . 15.0 110.369 -175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.674 0.273 . . . . 15.0 110.663 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.3 p -97.12 111.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.623 . . . . 15.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 53.3 p -119.93 113.94 21.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.024 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.27 -17.91 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.37 . . . . 15.0 110.475 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' HB2' HD13 ' A' ' 463' ' ' LEU . 28.2 m95 -106.09 101.01 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 15.0 109.792 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 29.1 m -101.88 124.18 47.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 15.0 110.412 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.674 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.6 pt-20 -89.83 128.55 36.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.125 0.488 . . . . 15.0 111.473 -175.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.17 115.23 23.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 439' ' ' LYS . 8.3 ptpp? -97.51 120.51 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.392 -174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 442' ' ' ASP . 4.0 t -96.93 150.08 21.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.972 177.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.77 -6.09 2.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 440' ' ' THR . 18.3 t70 -64.67 -16.44 62.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.188 0.518 . . . . 15.0 110.513 173.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.96 18.94 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.183 -1.167 . . . . 15.0 110.183 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB3' ' CG2' ' A' ' 440' ' ' THR . 0.1 OUTLIER -125.04 131.91 53.29 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.765 -0.717 . . . . 15.0 110.327 -173.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.6 p -114.14 99.23 7.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.418 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -96.97 129.59 44.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 15.0 110.036 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 49.2 m-85 -96.9 117.16 30.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.832 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.75 122.78 33.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.406 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.48 ' OD1' HG22 ' A' ' 452' ' ' THR . 9.3 p30 -133.54 143.49 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.624 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -83.99 -1.98 55.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -67.44 -52.13 43.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 15.0 110.307 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 454' ' ' GLU . 12.4 t -106.16 -0.11 24.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 62.74 30.78 16.8 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.893 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 452' ' ' THR . 36.8 tt0 -147.13 149.91 33.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.549 -0.296 . . . . 15.0 110.764 -172.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.0 m -89.81 113.15 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.002 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -98.92 147.36 25.05 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.498 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -94.14 0.67 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 15.0 109.953 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -107.32 121.87 45.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.258 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.36 117.47 66.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.995 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.61 150.28 11.48 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.846 2.364 . . . . 15.0 112.007 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.33 3.34 7.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.402 0.62 . . . . 15.0 110.751 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -75.98 -11.33 59.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 15.0 110.25 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 435' ' ' TRP . 56.6 tp -95.57 116.79 29.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 15.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 464' ' ' LYS . 8.7 mptt . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.367 -0.825 . . . . 15.0 110.003 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.462 ' HB1' ' HD1' ' A' ' 435' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 121.031 0.443 . . . . 15.0 110.339 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.28 -39.01 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.024 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.9 p -109.18 -15.78 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.853 0.686 . . . . 15.0 112.853 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.98 -20.61 28.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 57.9 m95 -135.2 113.58 11.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.172 -0.307 . . . . 15.0 110.172 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 448' ' ' TYR . 21.8 p -100.27 109.05 21.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.83 106.16 18.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.464 0.65 . . . . 15.0 110.887 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.43 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 93.1 m-85 -104.21 111.68 24.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.116 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -96.47 105.27 17.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.829 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.533 ' CG2' ' HG2' ' A' ' 444' ' ' LYS . 8.7 t -97.47 145.46 26.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.196 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.11 -1.39 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' A' ' 444' ' ' LYS . 21.3 t0 -73.55 -2.1 21.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.476 0.655 . . . . 15.0 109.812 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 34.58 7.99 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.628 -0.714 . . . . 15.0 112.388 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.533 ' HG2' ' CG2' ' A' ' 440' ' ' THR . 0.0 OUTLIER -150.08 136.15 18.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 15.0 111.601 178.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.9 p -100.05 108.21 20.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.892 -0.595 . . . . 15.0 109.756 170.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 34.4 p90 -101.93 118.67 37.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.667 0.746 . . . . 15.0 110.474 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.0 m-85 -96.32 111.67 23.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.927 -1.033 . . . . 15.0 109.679 -178.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.471 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 67.0 t80 -89.85 119.85 30.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.013 0.435 . . . . 15.0 110.137 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.524 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -123.86 144.24 49.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.776 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -84.26 4.47 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.188 -0.915 . . . . 15.0 110.0 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -69.3 -51.63 35.3 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.859 0.361 . . . . 15.0 110.04 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 454' ' ' GLU . 13.6 t -110.2 -0.05 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.937 175.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.05 30.83 9.36 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.05 0.452 . . . . 15.0 110.461 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.603 ' HB2' HG23 ' A' ' 452' ' ' THR . 49.7 mt-10 -138.0 150.11 46.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.622 -173.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 20.4 t -95.23 118.36 31.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.734 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -111.82 144.47 41.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 97.7 m-85 -89.34 -2.23 58.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 15.0 110.613 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.55 135.61 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.002 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.7 111.07 22.92 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.9 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 48.2 Cg_exo -56.38 133.36 57.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.408 2.739 . . . . 15.0 113.367 -176.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -76.77 -20.84 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 15.0 110.172 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -95.17 8.56 42.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.225 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 5.1 tt -87.53 108.8 19.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.283 0.563 . . . . 15.0 110.198 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.296 -0.859 . . . . 15.0 108.694 178.303 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.81 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.397 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 42.8 t -113.92 129.45 56.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.68 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.03 -12.66 49.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.495 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -101.94 107.94 19.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.357 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 14.1 m -107.63 114.76 28.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.201 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.1 pt-20 -89.92 130.04 36.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 15.0 112.276 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 89.8 m-85 -127.01 128.21 46.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.23 172.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.711 ' HB3' HG22 ' A' ' 445' ' ' THR . 0.0 OUTLIER -103.06 123.59 46.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.167 0.508 . . . . 15.0 111.088 177.193 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.1 t -90.04 150.35 22.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -11.55 6.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.275 -0.42 . . . . 15.0 112.044 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.4 -12.46 60.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.372 0.606 . . . . 15.0 110.38 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 30.35 13.0 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HE2' ' CD2' ' A' ' 457' ' ' PHE . 80.5 tttt -131.82 128.17 38.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.91 0.386 . . . . 15.0 110.132 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.711 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.2 p -101.31 125.96 48.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.226 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 457' ' ' PHE . 50.6 p90 -121.69 132.2 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 15.0 110.748 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 18.3 m-85 -98.91 112.79 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.476 -0.783 . . . . 15.0 110.051 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.87 119.22 30.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -118.4 133.52 55.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.408 0.623 . . . . 15.0 111.568 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.88 -3.4 31.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.901 -1.045 . . . . 15.0 110.594 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -60.07 -52.16 66.53 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.148 0.499 . . . . 15.0 110.383 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.921 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -118.33 0.4 11.67 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.877 -0.601 . . . . 15.0 112.127 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.7 mp 64.87 39.48 5.97 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.313 0.577 . . . . 15.0 110.749 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.921 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.1 OUTLIER -128.29 150.09 50.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.829 . . . . 15.0 109.824 -176.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.6 m -103.19 108.3 19.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.7 t -96.54 122.85 39.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.269 0.557 . . . . 15.0 110.783 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 444' ' ' LYS . 91.9 m-85 -82.7 -3.23 56.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.431 0.634 . . . . 15.0 109.667 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -99.49 122.84 43.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.093 -0.958 . . . . 15.0 109.201 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.65 117.85 59.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.209 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -71.87 138.21 31.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.656 2.237 . . . . 15.0 111.754 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -7.45 56.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.839 -174.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -80.99 -6.22 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.77 0.285 . . . . 15.0 111.77 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.54 113.47 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.23 -0.655 . . . . 15.0 109.23 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 8.4 pttm . . . . . 0 C--O 1.248 1.021 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.716 -178.064 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.105 0.479 . . . . 15.0 110.64 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 31.5 t -77.12 -22.62 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.348 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.1 m -64.32 116.24 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.428 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.02 -11.86 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.437 0.636 . . . . 15.0 110.738 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.71 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 19.3 m95 -109.13 103.07 11.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.41 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 448' ' ' TYR . 11.3 t -99.66 120.33 39.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 15.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.1 pt-20 -95.03 117.92 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.495 0.664 . . . . 15.0 111.788 -176.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.476 ' HE1' ' HG1' ' A' ' 436' ' ' THR . 40.0 m-85 -112.91 115.02 27.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.868 . . . . 15.0 108.788 172.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 12.2 ptmm? -101.73 126.36 48.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.497 0.665 . . . . 15.0 111.524 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -94.41 149.77 20.92 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.385 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 -7.9 11.41 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.208 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.66 -15.01 62.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.29 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.11 7.74 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.616 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -133.09 128.34 35.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 15.0 110.685 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 3.6 m -103.78 98.87 8.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 15.0 109.956 177.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 38.8 p90 -95.96 122.8 39.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.718 0.771 . . . . 15.0 110.784 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 22.6 m-85 -89.85 122.03 32.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.796 -1.093 . . . . 15.0 109.407 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 436' ' ' THR . 20.4 t80 -90.25 107.77 19.35 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.94 -0.763 . . . . 15.0 108.94 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -117.35 124.55 49.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.544 -0.753 . . . . 15.0 111.092 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -75.31 -5.95 47.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -60.02 -50.09 75.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.747 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.498 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.1 OUTLIER -113.93 0.18 14.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.791 -0.641 . . . . 15.0 112.169 175.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.4 mt 65.27 28.17 12.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.725 0.41 . . . . 15.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 0.3 OUTLIER -138.36 150.2 46.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.295 -175.467 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.8 m -90.74 114.66 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 15.0 111.305 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.6 t -98.33 145.52 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.478 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 99.2 m-85 -97.68 3.97 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.478 . . . . 15.0 110.241 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -101.56 123.71 46.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.004 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -61.96 113.69 9.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.109 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.22 141.4 6.96 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.179 2.586 . . . . 15.0 112.626 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -83.07 2.71 33.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.77 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.71 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 4.4 mm-40 -77.14 -12.21 59.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 15.0 110.228 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 435' ' ' TRP . 2.4 tt -87.59 101.24 13.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.513 -177.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.55 -0.75 . . . . 15.0 109.478 -178.858 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.08 78.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.159 0.98 . . . . 15.0 111.3 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.9 t -120.05 115.36 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.398 -0.819 . . . . 15.0 109.626 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -83.29 -0.59 50.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.491 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 69.6 m95 -118.4 107.37 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.298 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -95.7 118.74 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.92 0.391 . . . . 15.0 110.423 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.13 108.6 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.687 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -107.55 110.62 22.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.223 -0.658 . . . . 15.0 109.223 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -105.31 125.1 50.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.237 0.541 . . . . 15.0 110.53 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -108.04 150.36 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.94 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.49 -5.2 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -71.01 -9.12 57.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.44 0.638 . . . . 15.0 110.355 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 34.21 8.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.803 -0.713 . . . . 15.0 111.664 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -131.68 126.83 35.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.755 0.312 . . . . 15.0 111.094 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 48.1 p -108.69 100.44 9.68 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 171.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -100.62 114.37 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.725 0.774 . . . . 15.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -96.08 118.94 33.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.467 -1.242 . . . . 15.0 109.632 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -89.93 121.35 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.191 0.52 . . . . 15.0 109.611 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -125.72 141.43 52.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.825 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.527 ' HA ' HD13 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -80.53 3.12 22.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.569 175.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.0 -50.87 25.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 121.166 0.507 . . . . 15.0 110.051 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -108.75 -0.21 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.218 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mm? 60.18 26.9 16.34 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.525 0.678 . . . . 15.0 109.927 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -123.61 145.34 48.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.781 -1.1 . . . . 15.0 110.96 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 t -91.63 106.93 18.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 t -101.9 133.11 47.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 15.0 111.1 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -83.24 3.18 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.967 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -101.73 145.09 29.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -80.62 116.32 61.27 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.597 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.95 130.91 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.568 2.179 . . . . 15.0 112.195 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -77.98 -15.82 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.344 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -86.2 4.83 36.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.768 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.57 132.27 44.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.831 -0.622 . . . . 15.0 109.879 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.67 -0.681 . . . . 15.0 110.8 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.735 0.302 . . . . 15.0 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.45 140.92 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.992 0.425 . . . . 15.0 110.472 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.5 m -105.74 136.54 45.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.043 0.449 . . . . 15.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.63 109.64 21.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.36 0.6 . . . . 15.0 109.683 173.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -90.13 130.2 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.382 -0.826 . . . . 15.0 109.375 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 m -89.68 115.94 27.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.959 0.409 . . . . 15.0 110.824 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 439' ' ' LYS . 1.3 tt0 -90.23 121.15 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.668 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 86.5 m-85 -110.55 110.2 20.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 15.0 109.54 172.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB2' ' OE2' ' A' ' 437' ' ' GLU . 4.6 ttmp? -92.21 111.08 22.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.478 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.1 t -93.88 146.96 23.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.285 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.3 -1.64 2.51 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.795 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.48 -11.12 60.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.495 0.664 . . . . 15.0 109.73 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.79 8.58 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.662 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 440' ' ' THR . 29.1 mtmm -138.1 127.39 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.403 . . . . 15.0 111.203 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 p -98.98 106.69 18.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.288 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 52.3 p90 -103.18 123.98 47.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.478 0.656 . . . . 15.0 110.744 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.14 110.58 21.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.159 -0.928 . . . . 15.0 109.443 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -90.21 126.81 35.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.301 0.572 . . . . 15.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -129.85 141.66 50.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.334 -0.848 . . . . 15.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -87.98 5.92 38.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.367 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -68.62 -54.91 13.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.308 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.8 m -105.46 -0.52 25.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.136 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.4 mp 62.88 31.98 16.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.405 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.761 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 15.6 pt-20 -134.81 149.83 50.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.319 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.7 p -94.79 109.66 21.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.191 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.7 t -101.45 139.37 37.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.169 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 94.0 m-85 -90.58 0.33 57.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.066 0.46 . . . . 15.0 110.619 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.51 135.62 39.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.753 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -77.29 121.68 84.92 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.23 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.87 148.96 35.55 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.403 2.736 . . . . 15.0 113.123 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -91.77 -16.57 26.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.629 . . . . 15.0 110.339 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -91.16 -21.98 20.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.607 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -119.98 107.08 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.156 -0.217 . . . . 15.0 110.565 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 67.5 mttm . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.625 -0.702 . . . . 15.0 109.764 177.074 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.788 0.328 . . . . 15.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.75 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.587 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 32.7 t -76.81 125.79 29.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.171 -0.307 . . . . 15.0 110.171 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 42.5 mt-10 -73.17 -21.2 60.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.847 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.8 m95 -114.89 124.05 50.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.836 0.35 . . . . 15.0 110.521 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 22.8 p -106.74 134.13 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.818 175.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 13.0 pt-20 -91.01 101.53 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.538 0.685 . . . . 15.0 111.181 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -107.89 96.24 6.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.427 0.632 . . . . 15.0 109.934 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.833 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -99.25 107.46 19.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.741 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -95.73 146.47 24.49 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.515 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.88 1.97 2.29 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.483 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.1 -10.08 57.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.649 0.738 . . . . 15.0 109.378 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 30.97 11.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.186 -0.915 . . . . 15.0 112.261 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 457' ' ' PHE . 14.6 pttm -150.04 137.11 19.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 15.0 111.119 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.1 m -101.22 123.03 44.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 32.5 p90 -113.43 117.49 31.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.708 0.766 . . . . 15.0 110.467 175.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 436' ' ' THR . 42.6 m-85 -90.12 113.42 25.17 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.802 -1.09 . . . . 15.0 109.203 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -90.27 118.37 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 15.0 110.209 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.601 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 33.5 p-10 -112.32 137.57 50.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 15.0 111.286 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -76.98 1.23 18.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.057 172.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.599 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 41.8 ttm180 -71.4 -51.2 25.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.445 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.7 p -115.78 0.33 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 15.0 112.225 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.2 mp 64.78 32.08 11.31 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.511 0.672 . . . . 15.0 109.621 -175.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.802 -1.09 . . . . 15.0 111.078 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -105.2 93.38 4.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 169.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -95.15 141.91 28.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.95 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 83.5 m-85 -91.26 8.35 36.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 15.0 110.424 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -102.18 135.73 43.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.726 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -71.97 118.85 70.65 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.968 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.93 136.67 53.99 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.02 2.48 . . . . 15.0 112.298 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.39 -20.19 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.212 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -82.33 -1.98 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.939 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.6 tp -77.41 104.14 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 15.0 110.012 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.668 -0.682 . . . . 15.0 110.48 -179.477 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.734 0.302 . . . . 15.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.4 t -96.53 114.95 34.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.028 0.442 . . . . 15.0 110.01 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.3 m -90.07 38.32 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.809 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.8 pt-20 -64.94 -21.51 66.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.463 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.974 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 42.1 m95 -120.16 105.42 10.96 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.887 -0.783 . . . . 15.0 108.887 172.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 4.6 m -97.48 128.06 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.895 -0.322 . . . . 15.0 110.384 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.82 107.19 18.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.817 0.341 . . . . 15.0 111.214 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -109.94 121.29 44.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 174.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 445' ' ' THR . 14.4 pttm -120.34 119.68 33.82 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.274 -174.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 444' ' ' LYS . 6.1 t -89.97 150.26 22.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.963 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.07 -0.71 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.3 0.482 . . . . 15.0 112.3 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.29 -8.5 57.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.384 0.612 . . . . 15.0 110.024 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 37.79 6.65 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.325 -0.71 . . . . 15.0 111.325 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB2' HG22 ' A' ' 440' ' ' THR . 22.1 mtpp -124.64 118.12 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 439' ' ' LYS . 1.3 p -98.92 104.62 16.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.688 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 18.8 p90 -113.06 120.66 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 15.0 110.754 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 436' ' ' THR . 49.4 m-85 -90.42 116.28 28.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.029 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.31 125.06 35.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.663 -0.699 . . . . 15.0 109.873 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.689 HD21 HG22 ' A' ' 452' ' ' THR . 36.0 p-10 -117.12 138.74 51.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.324 0.583 . . . . 15.0 111.091 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.96 -4.36 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 15.0 109.633 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.667 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 35.3 mtp180 -66.46 -54.2 26.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.731 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.689 HG22 HD21 ' A' ' 449' ' ' ASN . 15.3 t -114.11 0.04 14.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.786 0.291 . . . . 15.0 111.786 174.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 67.43 36.11 3.98 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.817 0.447 . . . . 15.0 110.784 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.511 ' HB2' HG23 ' A' ' 452' ' ' THR . 52.2 mt-10 -138.14 150.07 46.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 15.0 111.319 -173.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.2 m -102.78 120.11 40.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.821 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 9.8 t -115.04 145.87 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.3 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.412 ' CE2' ' HE3' ' A' ' 444' ' ' LYS . 95.8 m-85 -88.53 0.03 56.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 15.0 111.455 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 13.2 pt-20 -100.82 150.01 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.88 110.11 37.41 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.342 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 4.5 Cg_exo -79.49 140.42 15.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.896 2.398 . . . . 15.0 111.873 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -79.74 7.01 9.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.217 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.974 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 16.9 mm-40 -84.27 -9.21 58.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.945 0.402 . . . . 15.0 110.87 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 435' ' ' TRP . 5.4 tt -70.39 114.55 8.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.656 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.358 -0.829 . . . . 15.0 110.029 -177.456 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.995 -0.372 . . . . 15.0 109.995 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.47 117.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.631 -177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.1 m -119.95 119.71 34.24 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.719 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -27.87 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.633 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.673 ' HB2' HD13 ' A' ' 463' ' ' LEU . 25.9 m95 -129.53 108.9 10.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 46.0 p -90.5 132.2 35.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.874 0.369 . . . . 15.0 110.395 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -93.99 108.34 20.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.074 0.464 . . . . 15.0 110.474 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -126.32 119.44 27.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.73 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 445' ' ' THR . 18.4 pttm -119.36 131.12 55.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.139 0.495 . . . . 15.0 111.531 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.2 t -100.19 149.06 23.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.724 175.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.68 8.93 0.42 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.447 0.536 . . . . 15.0 112.447 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.44 -3.37 52.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.571 . . . . 15.0 109.64 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 27.73 20.07 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.865 -0.683 . . . . 15.0 111.678 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.414 ' HE2' ' CE2' ' A' ' 457' ' ' PHE . 55.8 mtpt -134.81 124.34 24.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.704 0.288 . . . . 15.0 110.917 -175.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.525 HG23 ' HB3' ' A' ' 439' ' ' LYS . 4.5 m -103.45 119.1 38.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.276 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 23.4 p90 -110.31 115.78 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.694 0.759 . . . . 15.0 110.633 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 436' ' ' THR . 82.8 m-85 -90.35 112.25 23.76 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.025 -0.988 . . . . 15.0 109.88 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -90.17 120.84 31.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.507 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 36.8 p-10 -111.16 144.11 40.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.884 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.9 p30 -82.54 -3.68 56.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.522 172.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.441 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 33.3 ttm180 -71.04 -62.81 1.26 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.672 -0.695 . . . . 15.0 110.69 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.451 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 14.0 p -104.54 0.2 28.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 15.0 110.912 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 450' ' ' ASN . 96.1 mt 61.07 58.92 2.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.903 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.16 150.07 31.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.213 0.53 . . . . 15.0 111.353 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.9 p -97.55 100.69 12.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 173.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.8 t -94.7 133.31 38.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 110.445 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 445' ' ' THR . 96.0 m-85 -84.55 -1.14 55.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.996 0.427 . . . . 15.0 111.033 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -96.45 125.04 40.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.39 117.85 28.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 15.0 111.691 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.44 123.95 13.35 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.764 2.31 . . . . 15.0 111.761 176.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.04 -8.51 56.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 15.0 111.397 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -103.86 2.4 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.711 0.291 . . . . 15.0 111.282 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 435' ' ' TRP . 53.9 tp -73.7 106.37 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.279 0.561 . . . . 15.0 111.827 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.508 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.884 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 174.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.7 m -82.32 -30.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 15.0 111.146 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 42.9 m -95.12 111.51 23.33 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.805 -0.443 . . . . 15.0 109.805 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.93 117.63 28.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.484 0.659 . . . . 15.0 110.892 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.684 ' HD1' ' HG ' ' A' ' 463' ' ' LEU . 24.9 m95 -90.04 111.68 22.87 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.866 -0.79 . . . . 15.0 108.866 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -89.94 123.45 33.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.846 0.355 . . . . 15.0 111.004 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 34.3 mt-10 -89.98 115.59 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.929 -175.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -121.89 121.99 38.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.33 -0.396 . . . . 15.0 110.915 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 445' ' ' THR . 21.5 tptm -95.34 109.28 21.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 174.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.1 t -92.58 148.65 21.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.828 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.23 1.18 1.65 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.237 0.541 . . . . 15.0 111.079 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.5 -7.7 49.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.436 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 26.47 23.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.376 -0.829 . . . . 15.0 112.339 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -145.98 139.09 25.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 15.0 111.591 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.569 HG23 ' HD3' ' A' ' 439' ' ' LYS . 3.7 p -92.93 114.66 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.18 173.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -107.77 135.0 49.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.41 0.624 . . . . 15.0 110.209 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 5.6 m-85 -99.89 115.19 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.24 -0.891 . . . . 15.0 109.999 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -90.03 121.83 32.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.26 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 5.4 p30 -120.76 137.56 54.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.139 0.495 . . . . 15.0 111.356 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.488 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.5 p-10 -80.83 -3.21 50.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.342 -0.844 . . . . 15.0 110.175 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.93 -57.77 11.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.556 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.1 p -114.89 0.18 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.683 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 450' ' ' ASN . 93.9 mt 61.96 55.78 2.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.464 0.65 . . . . 15.0 110.629 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -138.78 150.15 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.2 -0.909 . . . . 15.0 110.278 -176.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.6 m -98.93 106.51 18.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.8 t -99.73 150.11 22.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.76 -176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -100.33 5.01 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.02 0.438 . . . . 15.0 110.888 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 140.55 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.679 -0.489 . . . . 15.0 109.679 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.85 108.28 8.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.627 -0.26 . . . . 15.0 110.642 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.1 Cg_exo -64.68 137.3 53.6 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.933 2.422 . . . . 15.0 112.959 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -91.62 -9.52 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.623 0.725 . . . . 15.0 109.764 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.55 4.3 40.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.737 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.684 ' HG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 tt -85.58 114.31 22.49 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.4 tptp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.106 -0.949 . . . . 15.0 110.448 -178.44 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.999 0.428 . . . . 15.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 25.1 m -88.74 162.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.222 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.3 m -95.48 10.87 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.02 0.438 . . . . 15.0 110.826 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 -16.24 61.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.701 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.431 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 41.2 m95 -124.05 112.3 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.199 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 1.7 m -90.18 136.97 32.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.392 . . . . 15.0 111.459 -173.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -90.0 106.87 18.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.768 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -126.57 115.82 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 15.0 110.642 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -109.84 127.31 54.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.55 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -96.13 144.03 26.73 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 110.098 -0.334 . . . . 15.0 110.098 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.45 -5.56 5.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.585 -0.734 . . . . 15.0 111.551 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.92 -9.71 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.242 0.544 . . . . 15.0 110.469 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 36.52 7.09 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.936 -0.575 . . . . 15.0 112.297 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.01 138.72 20.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.066 0.46 . . . . 15.0 110.861 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.9 m -98.41 136.37 38.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.666 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 23.1 p90 -127.38 120.88 29.48 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.768 0.794 . . . . 15.0 110.071 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.5 m-85 -93.3 111.12 22.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.182 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -93.63 124.6 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.271 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -121.1 139.47 53.29 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.059 0.457 . . . . 15.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.475 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.2 p-10 -83.63 2.05 39.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.095 -0.957 . . . . 15.0 110.121 177.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.81 -62.53 1.8 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.309 0.576 . . . . 15.0 109.954 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -111.02 0.53 16.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.392 -0.822 . . . . 15.0 111.235 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 450' ' ' ASN . 89.9 mt 68.93 35.38 2.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.353 0.597 . . . . 15.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 452' ' ' THR . 43.7 mt-10 -126.99 149.93 49.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.318 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 27.9 t -105.36 117.67 34.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.903 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.2 t -104.25 133.77 48.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.663 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.62 -0.4 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.283 0.563 . . . . 15.0 109.956 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -110.17 140.31 44.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.333 -0.849 . . . . 15.0 109.706 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -74.96 120.83 83.53 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.853 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.57 147.12 35.47 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.879 2.386 . . . . 15.0 112.231 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -70.42 -10.66 59.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.508 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.431 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 12.0 mp0 -80.32 -11.29 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.037 -0.265 . . . . 15.0 111.232 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.6 114.5 28.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.915 0.388 . . . . 15.0 110.81 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.61 -0.71 . . . . 15.0 110.155 177.31 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.11 2.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 15.0 111.562 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.5 m -89.21 118.49 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 15.0 111.665 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.42 ' OE2' ' HB2' ' A' ' 449' ' ' ASN . 14.9 tt0 -92.39 -13.46 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.541 0.686 . . . . 15.0 109.822 175.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 460' ' ' PRO . 23.4 m95 -89.67 108.25 19.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.082 -173.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.9 p -101.64 114.04 27.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.492 -0.322 . . . . 15.0 110.53 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.3 pt-20 -89.94 122.04 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.392 0.615 . . . . 15.0 110.952 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -106.22 120.4 41.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.443 -0.799 . . . . 15.0 109.368 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 445' ' ' THR . 0.2 OUTLIER -94.2 114.95 27.16 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.454 -0.793 . . . . 15.0 110.548 -174.248 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -92.82 143.93 25.78 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -13.92 25.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.984 -0.553 . . . . 15.0 111.527 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.66 -13.59 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.694 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 37.66 6.63 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.862 -0.608 . . . . 15.0 111.904 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 440' ' ' THR . 29.0 mtmm -132.87 141.43 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -122.74 113.68 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.084 -0.339 . . . . 15.0 110.084 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 51.4 p90 -105.75 126.02 51.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 15.0 110.433 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 52.8 m-85 -90.41 112.4 23.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.178 -0.919 . . . . 15.0 110.031 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.98 117.7 28.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.548 . . . . 15.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.42 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 5.0 p30 -135.17 141.71 45.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.375 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -89.99 -3.81 57.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.052 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.92 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.3 173.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 5.1 p -108.12 -0.02 21.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.632 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.47 27.14 13.5 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.777 0.431 . . . . 15.0 111.176 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.4 pt-20 -127.26 150.1 49.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.921 0.391 . . . . 15.0 110.955 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.4 m -96.64 100.43 11.99 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 169.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -90.1 126.15 35.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 15.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -80.69 -6.88 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.522 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -99.01 131.5 45.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.352 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -70.16 117.14 51.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 O-C-N 123.236 0.335 . . . . 15.0 111.672 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HG2' ' CE3' ' A' ' 435' ' ' TRP . 24.1 Cg_exo -65.33 139.24 58.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.851 2.368 . . . . 15.0 112.102 175.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.12 -12.14 61.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.348 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -67.63 -13.84 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.457 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -111.8 5.0 18.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.237 0.542 . . . . 15.0 110.257 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 60.7 tttm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.579 -0.724 . . . . 15.0 110.365 -178.178 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.429 ' O ' ' HE2' ' A' ' 464' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.244 0.545 . . . . 15.0 110.118 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.42 127.85 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 462' ' ' GLU . 14.6 m -120.0 105.37 10.97 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -97.38 130.11 44.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.241 -171.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD12 ' A' ' 463' ' ' LEU . 46.2 m95 -140.88 115.38 9.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.367 -0.833 . . . . 15.0 108.831 176.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 m -90.02 116.1 27.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.921 0.391 . . . . 15.0 110.761 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.5 pt-20 -89.8 126.36 35.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.261 0.553 . . . . 15.0 111.177 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.87 109.53 19.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.3 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.8 ptpp? -90.22 107.69 19.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.378 0.609 . . . . 15.0 110.063 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -93.98 142.87 26.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.943 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.32 3.73 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.42 -4.29 14.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.97 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.97 15.9 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 115.54 -0.754 . . . . 15.0 112.799 173.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.727 ' HD2' ' CE2' ' A' ' 457' ' ' PHE . 14.0 pttp -150.31 136.93 19.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.349 0.595 . . . . 15.0 112.451 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.2 p -98.95 110.57 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.853 . . . . 15.0 109.955 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -109.98 129.96 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.405 0.622 . . . . 15.0 110.753 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.628 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 10.9 m-85 -95.8 117.27 30.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.972 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -99.23 127.81 45.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.599 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 451' ' ' ARG . 29.6 p-10 -122.64 143.64 49.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.32 0.581 . . . . 15.0 111.133 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.57 2.57 32.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.32 173.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB2' HD22 ' A' ' 449' ' ' ASN . 85.5 mtt180 -74.53 -45.36 46.21 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.463 -0.335 . . . . 15.0 111.143 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.2 p -116.56 0.23 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.527 0.566 . . . . 15.0 112.527 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 56.79 48.64 15.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.307 0.575 . . . . 15.0 110.153 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.78 150.03 36.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.822 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.0 p -99.44 109.28 21.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.723 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.6 t -99.89 139.65 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 15.0 110.128 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' PHE . . . . . 0.727 ' CE2' ' HD2' ' A' ' 444' ' ' LYS . 94.1 m-85 -93.46 1.04 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.25 0.548 . . . . 15.0 110.228 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -92.8 132.75 36.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.215 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -77.45 110.29 12.1 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.655 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.25 126.0 17.6 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.005 2.47 . . . . 15.0 112.512 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -85.2 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 9.9 pt-20 -97.2 -0.36 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.696 -177.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 435' ' ' TRP . 6.3 tt -60.81 120.02 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.245 0.34 . . . . 15.0 110.178 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 462' ' ' GLU . 24.3 pttm . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.505 -0.759 . . . . 15.0 110.016 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.37 -50.52 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.479 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.2 m -79.24 122.43 26.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.629 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -93.51 126.47 38.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m95 -111.8 117.69 33.51 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -89.69 108.61 19.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.146 0.498 . . . . 15.0 110.828 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.0 pt-20 -92.72 126.73 37.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.499 -176.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 85.2 m-85 -123.08 130.28 52.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 173.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.628 ' HB3' HG22 ' A' ' 445' ' ' THR . 20.2 pttp -102.34 117.2 34.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.354 0.597 . . . . 15.0 110.936 178.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -89.7 150.07 22.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.568 -0.742 . . . . 15.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.99 -9.58 3.24 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.838 0.711 . . . . 15.0 111.758 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.24 -10.32 58.55 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.443 0.639 . . . . 15.0 110.013 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 34.75 7.9 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.732 175.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -143.94 135.06 25.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.922 0.391 . . . . 15.0 111.515 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 439' ' ' LYS . 4.7 p -98.17 119.52 36.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.977 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 46.6 p90 -111.38 124.53 52.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 15.0 110.454 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 14.8 m-85 -95.31 116.92 29.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.254 -0.884 . . . . 15.0 109.576 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -89.75 119.7 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.51 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 31.9 p-10 -114.01 136.26 53.1 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 15.0 110.958 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -74.01 -8.17 55.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.894 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 39.1 ttm180 -71.23 -46.88 60.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.878 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -111.58 -2.86 15.3 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.689 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mp 59.03 31.5 21.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.189 0.519 . . . . 15.0 109.745 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -132.86 150.24 52.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.635 -0.711 . . . . 15.0 111.058 -168.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -93.99 100.4 12.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.3 t -94.98 144.09 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 15.0 111.055 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -98.97 2.87 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.661 0.744 . . . . 15.0 109.822 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -95.88 121.52 37.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.103 -0.953 . . . . 15.0 110.011 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.546 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 9.3 mtpm? -64.16 120.38 63.91 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 15.0 110.655 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 60.0 Cg_endo -80.02 139.74 13.77 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.695 2.264 . . . . 15.0 111.982 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -71.38 -11.75 61.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 15.0 111.226 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.458 ' HG2' HH22 ' A' ' 451' ' ' ARG . 58.1 mp0 -67.81 -25.78 65.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.12 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 464' ' ' LYS . 23.1 tp -116.13 10.34 14.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.468 -0.333 . . . . 15.0 110.678 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 463' ' ' LEU . 65.8 tttm . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.062 0.458 . . . . 15.0 110.084 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.6 m -83.53 2.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.058 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.0 m -95.85 124.74 40.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.932 -0.576 . . . . 15.0 109.759 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.46 141.11 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.293 0.568 . . . . 15.0 110.921 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.495 ' HD1' ' HB2' ' A' ' 463' ' ' LEU . 22.0 m95 -105.07 95.57 5.93 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 173.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.94 121.31 31.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.668 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 123.0 33.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.177 0.513 . . . . 15.0 111.261 -175.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.73 121.96 36.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.371 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 13.7 ptmm? -108.27 117.3 33.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.593 0.711 . . . . 15.0 110.854 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -89.92 149.5 22.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.411 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -7.26 6.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.393 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.79 -13.98 62.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 15.0 110.143 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 34.82 7.73 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.702 -0.681 . . . . 15.0 112.029 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -132.07 129.45 39.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.282 . . . . 15.0 110.855 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 1.7 m -101.75 105.59 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.26 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.4 p90 -106.49 123.27 47.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.394 0.616 . . . . 15.0 110.756 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.18 117.14 28.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.281 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 15.0 109.84 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.416 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 5.5 p30 -123.7 130.85 53.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 15.0 110.736 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.25 -8.71 57.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.919 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -60.13 -45.18 93.88 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.038 0.447 . . . . 15.0 110.881 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -6.04 15.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.35 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 453' ' ' LEU . 3.6 mm? 58.2 29.29 17.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.468 0.651 . . . . 15.0 109.38 -169.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -130.66 150.22 51.95 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.376 -0.829 . . . . 15.0 110.38 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.6 p -95.35 113.6 25.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.504 176.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -97.84 130.16 44.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 15.0 110.551 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -86.13 6.44 29.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 15.0 110.327 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.28 125.21 50.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.333 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.63 116.52 18.58 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-O 120.972 0.415 . . . . 15.0 111.457 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -89.33 135.71 2.68 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.283 2.656 . . . . 15.0 112.056 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.54 3.45 40.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.435 -0.348 . . . . 15.0 111.675 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 19.6 mm-40 -68.79 -39.51 80.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.796 0.331 . . . . 15.0 110.496 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.495 ' HB2' ' HD1' ' A' ' 435' ' ' TRP . 24.9 tp -78.59 101.51 7.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? . . . . . 0 C--O 1.246 0.921 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.949 -176.11 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.012 0.434 . . . . 15.0 111.324 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.48 113.64 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.497 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.2 m -78.62 119.18 21.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -78.13 -5.05 50.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.562 -174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.636 ' HB2' HD12 ' A' ' 463' ' ' LEU . 8.2 m95 -117.78 110.38 17.74 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.9 m -99.31 121.94 41.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.79 0.329 . . . . 15.0 110.567 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 84.9 tt0 -91.95 122.0 34.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.665 -173.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -118.51 126.63 52.44 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 172.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.83 122.01 42.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 15.0 110.734 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.9 t -90.59 150.07 21.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.2 -0.33 3.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.829 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.52 -5.46 56.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.316 0.579 . . . . 15.0 109.762 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.99 10.36 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.749 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' O ' HG22 ' A' ' 440' ' ' THR . 51.0 mtpt -133.63 130.75 38.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.62 0.248 . . . . 15.0 110.602 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 p -104.3 118.56 36.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.464 -0.335 . . . . 15.0 110.299 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.624 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.5 p90 -111.32 123.57 50.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 15.0 110.469 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 455' ' ' SER . 13.9 m-85 -92.75 114.15 26.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 15.0 110.359 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.53 126.78 35.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -136.45 146.96 46.94 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.147 -0.478 . . . . 15.0 110.723 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -86.15 2.46 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.149 -0.932 . . . . 15.0 111.423 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -82.72 -43.36 16.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.855 0.36 . . . . 15.0 110.274 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 21.4 p -109.46 0.1 19.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.402 173.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.62 33.16 21.93 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.016 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.412 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -149.96 150.37 31.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.079 -173.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.624 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 13.2 p -91.03 116.38 28.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.824 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.4 t -96.49 150.0 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.447 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.36 -2.69 57.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.757 0.313 . . . . 15.0 111.426 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.9 mt-10 -86.57 149.08 25.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.513 176.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -92.14 107.15 20.99 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.429 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 29.7 Cg_exo -62.19 139.18 76.61 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.378 2.718 . . . . 15.0 113.274 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -94.37 -13.0 26.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.559 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -86.35 2.72 46.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.394 176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 435' ' ' TRP . 6.4 tt -77.7 -24.23 49.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.687 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.54 -0.743 . . . . 15.0 111.061 -170.724 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.9 m95 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.638 -0.875 . . . . 15.0 108.638 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 5.6 m -93.41 135.6 34.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.736 0.303 . . . . 15.0 110.902 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.8 109.86 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.434 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -120.66 115.24 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.907 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -115.0 116.84 29.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 t -90.05 149.95 22.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.094 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.06 15.01 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.806 0.692 . . . . 15.0 111.839 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.65 -13.01 61.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.488 0.661 . . . . 15.0 110.546 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 33.36 8.65 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.93 -0.653 . . . . 15.0 111.834 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -122.47 122.42 38.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.765 0.316 . . . . 15.0 110.738 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.1 p -96.57 104.61 16.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.089 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 8.6 p90 -105.02 117.48 34.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.583 0.706 . . . . 15.0 110.168 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 71.5 m-85 -89.92 114.19 25.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.042 -0.981 . . . . 15.0 110.417 -177.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -90.06 120.34 31.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.885 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -127.61 147.56 50.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.0 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.08 5.6 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -76.48 -42.38 43.8 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.087 0.47 . . . . 15.0 110.306 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.0 p -113.77 -0.06 14.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.478 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.39 29.46 18.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.201 0.524 . . . . 15.0 109.824 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -129.56 145.16 51.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.185 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.547 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 11.1 p -91.17 109.95 21.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.568 171.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -97.13 143.78 27.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.7 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -93.74 4.25 54.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 15.0 110.462 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.12 120.5 39.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.923 -0.581 . . . . 15.0 109.538 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -61.22 119.93 50.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.28 125.99 19.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.176 2.584 . . . . 15.0 113.051 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.3 -12.15 61.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.831 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.841 0.353 . . . . 15.0 110.869 178.285 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.782 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 13.8 m95 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -91.13 112.82 24.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.0 0.429 . . . . 15.0 111.276 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.8 pt-20 -90.0 106.14 18.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.503 0.668 . . . . 15.0 111.779 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.41 117.8 31.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.59 118.1 31.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.197 0.522 . . . . 15.0 110.385 -177.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.1 t -104.28 150.25 24.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.608 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.88 -4.91 10.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.21 0.528 . . . . 15.0 110.795 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -71.65 -5.67 35.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.102 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.73 10.46 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 115.892 -0.595 . . . . 15.0 111.838 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.67 ' HD3' ' HE2' ' A' ' 457' ' ' PHE . 80.1 mttt -139.04 135.23 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.91 0.385 . . . . 15.0 111.585 -172.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 439' ' ' LYS . 3.4 p -109.89 92.67 4.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.646 170.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 47.5 p90 -92.41 122.59 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.393 0.615 . . . . 15.0 110.949 -177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 8.7 m-85 -92.48 111.97 23.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.009 -0.996 . . . . 15.0 110.08 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -90.05 125.79 35.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 451' ' ' ARG . 28.7 p-10 -121.66 148.41 44.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.972 -178.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -83.63 -9.08 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.069 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.582 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 20.1 ttm180 -70.36 -40.93 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.543 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 1.2 m -117.59 -2.14 11.52 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.993 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.9 mt 56.67 32.88 21.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.076 0.465 . . . . 15.0 110.304 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.436 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 56.5 mm-40 -129.76 149.94 51.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 15.0 112.118 -170.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 446' ' ' TYR . 16.5 m -99.47 109.13 21.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.4 171.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.1 t -91.7 137.79 32.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.887 0.375 . . . . 15.0 110.675 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.67 ' HE2' ' HD3' ' A' ' 444' ' ' LYS . 87.9 m-85 -90.09 -2.94 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.23 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.16 140.29 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.32 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -74.16 114.96 38.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.433 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.7 150.4 62.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.685 2.923 . . . . 15.0 114.194 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -79.32 -16.94 55.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.15 -0.932 . . . . 15.0 111.376 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.782 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.7 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 15.0 110.988 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 15.4 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.119 -0.697 . . . . 15.0 109.119 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.2 t -111.98 121.41 44.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.169 0.509 . . . . 15.0 110.044 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 1.2 pm0 -94.5 119.79 33.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 15.0 111.379 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.07 129.09 54.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.456 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -100.86 123.64 45.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.937 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -90.17 148.78 22.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -18.29 43.55 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.531 0.519 . . . . 15.0 111.67 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.02 -13.13 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.816 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 38.54 6.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.907 -0.663 . . . . 15.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 29.8 mtmm -132.82 124.89 28.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.857 0.36 . . . . 15.0 110.677 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.0 m -94.89 106.59 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.024 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 42.1 p90 -96.79 119.89 36.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.371 0.605 . . . . 15.0 110.275 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 42.2 m-85 -92.62 113.4 25.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.238 -0.892 . . . . 15.0 110.026 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.93 117.37 28.69 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.581 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 8.4 p30 -123.25 143.42 50.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.349 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.517 ' HA ' HD13 ' A' ' 453' ' ' LEU . 2.8 p-10 -83.56 5.69 23.25 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.628 175.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.7 ttm180 -61.18 -55.88 27.15 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 173.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -114.5 0.27 13.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.883 -0.599 . . . . 15.0 112.054 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mm? 65.16 29.19 12.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.489 0.661 . . . . 15.0 109.642 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -127.77 143.07 51.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.985 -1.007 . . . . 15.0 109.743 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.443 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 11.4 t -90.4 120.99 31.98 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.921 -0.4 . . . . 15.0 109.921 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -120.5 146.67 46.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.243 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -90.3 4.69 50.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 15.0 111.215 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.83 144.53 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.754 -0.462 . . . . 15.0 109.754 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.91 112.46 52.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.77 145.2 97.41 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.507 2.804 . . . . 15.0 112.942 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -108.09 -7.56 16.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.426 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.965 177.458 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.736 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 33.3 m95 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 109.937 -0.394 . . . . 15.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.4 p -102.24 130.06 48.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.644 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 46.8 mt-10 -89.9 115.17 27.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.688 0.28 . . . . 15.0 111.234 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.22 110.46 21.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.622 ' HB3' HG22 ' A' ' 445' ' ' THR . 24.9 pttm -109.86 117.13 33.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.427 0.632 . . . . 15.0 111.447 -173.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.537 ' CG2' ' HB2' ' A' ' 444' ' ' LYS . 5.7 t -101.12 150.17 23.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.298 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.52 -6.41 7.4 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.069 0.396 . . . . 15.0 112.069 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.55 -3.06 25.48 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.408 0.623 . . . . 15.0 110.327 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 23.06 37.63 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.516 -0.634 . . . . 15.0 111.516 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.537 ' HB2' ' CG2' ' A' ' 440' ' ' THR . 44.0 mmtm -116.97 120.93 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.998 0.428 . . . . 15.0 110.899 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 439' ' ' LYS . 13.1 p -105.08 94.92 5.5 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.232 -0.655 . . . . 15.0 109.232 170.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 28.6 p90 -97.37 119.3 35.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.634 0.731 . . . . 15.0 110.438 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.644 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 8.9 m-85 -89.77 118.36 29.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.851 -1.068 . . . . 15.0 110.437 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -90.13 112.71 24.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 10.1 p30 -114.46 144.07 43.93 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.646 -0.707 . . . . 15.0 110.749 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 453' ' ' LEU . 9.6 p30 -85.05 3.76 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.792 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 14.5 ttt180 -67.24 -59.76 3.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.303 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.8 p -112.88 0.51 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.73 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.5 mm? 63.25 57.79 1.5 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.132 0.491 . . . . 15.0 110.999 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.07 150.21 31.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.816 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 15.6 m -95.27 104.47 16.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.597 -0.52 . . . . 15.0 109.597 173.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -108.72 150.06 28.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.819 0.342 . . . . 15.0 110.916 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -87.96 1.06 55.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.388 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.58 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 11.4 pt-20 -84.23 139.39 32.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.384 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -96.05 100.33 6.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 6.0 Cg_exo -79.43 139.02 14.25 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.649 2.232 . . . . 15.0 112.5 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.67 4.0 4.45 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.748 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.736 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.6 mm-40 . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.228 0.537 . . . . 15.0 109.921 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 28.2 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.792 -0.447 . . . . 15.0 109.792 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 29.1 m -101.88 124.18 47.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 15.0 110.412 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.674 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.6 pt-20 -89.83 128.55 36.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.125 0.488 . . . . 15.0 111.473 -175.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.17 115.23 23.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 439' ' ' LYS . 8.3 ptpp? -97.51 120.51 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.392 -174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 442' ' ' ASP . 4.0 t -96.93 150.08 21.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.972 177.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.77 -6.09 2.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 440' ' ' THR . 18.3 t70 -64.67 -16.44 62.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.188 0.518 . . . . 15.0 110.513 173.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.96 18.94 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.183 -1.167 . . . . 15.0 110.183 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB3' ' CG2' ' A' ' 440' ' ' THR . 0.1 OUTLIER -125.04 131.91 53.29 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.765 -0.717 . . . . 15.0 110.327 -173.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.6 p -114.14 99.23 7.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.418 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -96.97 129.59 44.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 15.0 110.036 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 49.2 m-85 -96.9 117.16 30.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.832 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.75 122.78 33.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.406 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.48 ' OD1' HG22 ' A' ' 452' ' ' THR . 9.3 p30 -133.54 143.49 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.624 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -83.99 -1.98 55.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -67.44 -52.13 43.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 15.0 110.307 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 454' ' ' GLU . 12.4 t -106.16 -0.11 24.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 62.74 30.78 16.8 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.893 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 452' ' ' THR . 36.8 tt0 -147.13 149.91 33.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.549 -0.296 . . . . 15.0 110.764 -172.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.0 m -89.81 113.15 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.002 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -98.92 147.36 25.05 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.498 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -94.14 0.67 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 15.0 109.953 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -107.32 121.87 45.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.258 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.36 117.47 66.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.995 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.61 150.28 11.48 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.846 2.364 . . . . 15.0 112.007 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.33 3.34 7.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.402 0.62 . . . . 15.0 110.751 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 15.0 110.25 175.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 57.9 m95 . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.172 -0.307 . . . . 15.0 110.172 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 448' ' ' TYR . 21.8 p -100.27 109.05 21.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.83 106.16 18.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.464 0.65 . . . . 15.0 110.887 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.43 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 93.1 m-85 -104.21 111.68 24.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.116 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -96.47 105.27 17.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.829 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.533 ' CG2' ' HG2' ' A' ' 444' ' ' LYS . 8.7 t -97.47 145.46 26.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.196 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.11 -1.39 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' A' ' 444' ' ' LYS . 21.3 t0 -73.55 -2.1 21.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.476 0.655 . . . . 15.0 109.812 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 34.58 7.99 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.628 -0.714 . . . . 15.0 112.388 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.533 ' HG2' ' CG2' ' A' ' 440' ' ' THR . 0.0 OUTLIER -150.08 136.15 18.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 15.0 111.601 178.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.9 p -100.05 108.21 20.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.892 -0.595 . . . . 15.0 109.756 170.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 34.4 p90 -101.93 118.67 37.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.667 0.746 . . . . 15.0 110.474 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.0 m-85 -96.32 111.67 23.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.927 -1.033 . . . . 15.0 109.679 -178.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.471 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 67.0 t80 -89.85 119.85 30.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.013 0.435 . . . . 15.0 110.137 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.524 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -123.86 144.24 49.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.776 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -84.26 4.47 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.188 -0.915 . . . . 15.0 110.0 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -69.3 -51.63 35.3 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.859 0.361 . . . . 15.0 110.04 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 454' ' ' GLU . 13.6 t -110.2 -0.05 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.937 175.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.05 30.83 9.36 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.05 0.452 . . . . 15.0 110.461 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.603 ' HB2' HG23 ' A' ' 452' ' ' THR . 49.7 mt-10 -138.0 150.11 46.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.622 -173.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 20.4 t -95.23 118.36 31.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.734 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -111.82 144.47 41.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 97.7 m-85 -89.34 -2.23 58.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 15.0 110.613 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.55 135.61 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.002 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.7 111.07 22.92 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.9 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.38 133.36 57.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.408 2.739 . . . . 15.0 113.367 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -76.77 -20.84 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 15.0 110.172 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.225 -178.244 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 35.0 m95 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.869 0.366 . . . . 15.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 14.1 m -107.63 114.76 28.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.201 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 5.1 pt-20 -89.92 130.04 36.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 15.0 112.276 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 89.8 m-85 -127.01 128.21 46.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.23 172.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.711 ' HB3' HG22 ' A' ' 445' ' ' THR . 0.0 OUTLIER -103.06 123.59 46.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.167 0.508 . . . . 15.0 111.088 177.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.1 t -90.04 150.35 22.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -11.55 6.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.275 -0.42 . . . . 15.0 112.044 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.4 -12.46 60.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.372 0.606 . . . . 15.0 110.38 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 30.35 13.0 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HE2' ' CD2' ' A' ' 457' ' ' PHE . 80.5 tttt -131.82 128.17 38.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.91 0.386 . . . . 15.0 110.132 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.711 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.2 p -101.31 125.96 48.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.226 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 457' ' ' PHE . 50.6 p90 -121.69 132.2 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 15.0 110.748 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 18.3 m-85 -98.91 112.79 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.476 -0.783 . . . . 15.0 110.051 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.87 119.22 30.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.742 HD21 HG22 ' A' ' 452' ' ' THR . 6.1 p-10 -118.4 133.52 55.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.408 0.623 . . . . 15.0 111.568 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.88 -3.4 31.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.901 -1.045 . . . . 15.0 110.594 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.664 ' HB3' HD22 ' A' ' 449' ' ' ASN . 45.0 ttm180 -60.07 -52.16 66.53 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.148 0.499 . . . . 15.0 110.383 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.921 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -118.33 0.4 11.67 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.877 -0.601 . . . . 15.0 112.127 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.7 mp 64.87 39.48 5.97 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.313 0.577 . . . . 15.0 110.749 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.921 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.1 OUTLIER -128.29 150.09 50.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.829 . . . . 15.0 109.824 -176.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.6 m -103.19 108.3 19.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.7 t -96.54 122.85 39.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.269 0.557 . . . . 15.0 110.783 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 444' ' ' LYS . 91.9 m-85 -82.7 -3.23 56.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.431 0.634 . . . . 15.0 109.667 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -99.49 122.84 43.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.093 -0.958 . . . . 15.0 109.201 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.65 117.85 59.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.209 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -71.87 138.21 31.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.656 2.237 . . . . 15.0 111.754 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -7.45 56.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.839 -174.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 111.77 0.285 . . . . 15.0 111.77 -177.218 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.71 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 19.3 m95 . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 448' ' ' TYR . 11.3 t -99.66 120.33 39.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 15.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.1 pt-20 -95.03 117.92 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.495 0.664 . . . . 15.0 111.788 -176.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.476 ' HE1' ' HG1' ' A' ' 436' ' ' THR . 40.0 m-85 -112.91 115.02 27.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.868 . . . . 15.0 108.788 172.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 12.2 ptmm? -101.73 126.36 48.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.497 0.665 . . . . 15.0 111.524 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -94.41 149.77 20.92 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.385 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 -7.9 11.41 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.208 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.66 -15.01 62.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.29 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.11 7.74 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.616 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -133.09 128.34 35.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 15.0 110.685 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 3.6 m -103.78 98.87 8.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 15.0 109.956 177.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 38.8 p90 -95.96 122.8 39.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.718 0.771 . . . . 15.0 110.784 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 22.6 m-85 -89.85 122.03 32.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.796 -1.093 . . . . 15.0 109.407 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 436' ' ' THR . 20.4 t80 -90.25 107.77 19.35 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.94 -0.763 . . . . 15.0 108.94 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -117.35 124.55 49.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.544 -0.753 . . . . 15.0 111.092 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -75.31 -5.95 47.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -60.02 -50.09 75.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.747 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.498 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.1 OUTLIER -113.93 0.18 14.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.791 -0.641 . . . . 15.0 112.169 175.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.4 mt 65.27 28.17 12.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.725 0.41 . . . . 15.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 0.3 OUTLIER -138.36 150.2 46.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.295 -175.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.8 m -90.74 114.66 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 15.0 111.305 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.6 t -98.33 145.52 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.478 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 99.2 m-85 -97.68 3.97 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.478 . . . . 15.0 110.241 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -101.56 123.71 46.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.004 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -61.96 113.69 9.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.109 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.22 141.4 6.96 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.179 2.586 . . . . 15.0 112.626 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -83.07 2.71 33.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.77 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.71 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 4.4 mm-40 . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 15.0 110.228 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 69.6 m95 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.298 -0.63 . . . . 15.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -95.7 118.74 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.92 0.391 . . . . 15.0 110.423 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.13 108.6 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.687 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -107.55 110.62 22.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.223 -0.658 . . . . 15.0 109.223 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -105.31 125.1 50.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.237 0.541 . . . . 15.0 110.53 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -108.04 150.36 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.94 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.49 -5.2 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -71.01 -9.12 57.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.44 0.638 . . . . 15.0 110.355 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 34.21 8.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.803 -0.713 . . . . 15.0 111.664 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -131.68 126.83 35.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.755 0.312 . . . . 15.0 111.094 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 48.1 p -108.69 100.44 9.68 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 171.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -100.62 114.37 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.725 0.774 . . . . 15.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -96.08 118.94 33.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.467 -1.242 . . . . 15.0 109.632 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -89.93 121.35 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.191 0.52 . . . . 15.0 109.611 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -125.72 141.43 52.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.825 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.527 ' HA ' HD13 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -80.53 3.12 22.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.569 175.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.0 -50.87 25.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 121.166 0.507 . . . . 15.0 110.051 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -108.75 -0.21 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.218 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mm? 60.18 26.9 16.34 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.525 0.678 . . . . 15.0 109.927 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -123.61 145.34 48.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.781 -1.1 . . . . 15.0 110.96 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 t -91.63 106.93 18.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 t -101.9 133.11 47.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 15.0 111.1 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -83.24 3.18 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.967 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -101.73 145.09 29.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -80.62 116.32 61.27 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.597 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.95 130.91 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.568 2.179 . . . . 15.0 112.195 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -77.98 -15.82 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.344 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.768 178.12 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 22.2 m95 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.375 -0.602 . . . . 15.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 m -89.68 115.94 27.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.959 0.409 . . . . 15.0 110.824 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 439' ' ' LYS . 1.3 tt0 -90.23 121.15 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.668 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 86.5 m-85 -110.55 110.2 20.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 15.0 109.54 172.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB2' ' OE2' ' A' ' 437' ' ' GLU . 4.6 ttmp? -92.21 111.08 22.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.478 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.1 t -93.88 146.96 23.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.285 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.3 -1.64 2.51 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.795 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.48 -11.12 60.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.495 0.664 . . . . 15.0 109.73 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.79 8.58 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.662 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 440' ' ' THR . 29.1 mtmm -138.1 127.39 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.403 . . . . 15.0 111.203 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 p -98.98 106.69 18.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.288 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 52.3 p90 -103.18 123.98 47.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.478 0.656 . . . . 15.0 110.744 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.14 110.58 21.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.159 -0.928 . . . . 15.0 109.443 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -90.21 126.81 35.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.301 0.572 . . . . 15.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -129.85 141.66 50.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.334 -0.848 . . . . 15.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -87.98 5.92 38.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.367 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -68.62 -54.91 13.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.308 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.8 m -105.46 -0.52 25.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.136 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.4 mp 62.88 31.98 16.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.405 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.761 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 15.6 pt-20 -134.81 149.83 50.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.319 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.7 p -94.79 109.66 21.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.191 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.7 t -101.45 139.37 37.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.169 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 94.0 m-85 -90.58 0.33 57.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.066 0.46 . . . . 15.0 110.619 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.51 135.62 39.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.753 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -77.29 121.68 84.92 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.23 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.87 148.96 35.55 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.403 2.736 . . . . 15.0 113.123 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -91.77 -16.57 26.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.629 . . . . 15.0 110.339 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.607 179.03 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.8 m95 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.836 0.35 . . . . 15.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 22.8 p -106.74 134.13 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.818 175.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 13.0 pt-20 -91.01 101.53 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.538 0.685 . . . . 15.0 111.181 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -107.89 96.24 6.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.427 0.632 . . . . 15.0 109.934 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.833 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -99.25 107.46 19.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.741 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -95.73 146.47 24.49 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.515 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.88 1.97 2.29 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.483 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.1 -10.08 57.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.649 0.738 . . . . 15.0 109.378 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 30.97 11.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.186 -0.915 . . . . 15.0 112.261 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 457' ' ' PHE . 14.6 pttm -150.04 137.11 19.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 15.0 111.119 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.1 m -101.22 123.03 44.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 32.5 p90 -113.43 117.49 31.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.708 0.766 . . . . 15.0 110.467 175.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 436' ' ' THR . 42.6 m-85 -90.12 113.42 25.17 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.802 -1.09 . . . . 15.0 109.203 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -90.27 118.37 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 15.0 110.209 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.601 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 33.5 p-10 -112.32 137.57 50.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 15.0 111.286 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.98 1.23 18.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.057 172.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.599 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 41.8 ttm180 -71.4 -51.2 25.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.445 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.7 p -115.78 0.33 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 15.0 112.225 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.2 mp 64.78 32.08 11.31 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.511 0.672 . . . . 15.0 109.621 -175.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.802 -1.09 . . . . 15.0 111.078 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -105.2 93.38 4.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 169.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -95.15 141.91 28.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.95 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 83.5 m-85 -91.26 8.35 36.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 15.0 110.424 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -102.18 135.73 43.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.726 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -71.97 118.85 70.65 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.968 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.93 136.67 53.99 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.02 2.48 . . . . 15.0 112.298 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.39 -20.19 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.212 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.939 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.974 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 42.1 m95 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 108.887 -0.783 . . . . 15.0 108.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 4.6 m -97.48 128.06 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.895 -0.322 . . . . 15.0 110.384 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.82 107.19 18.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.817 0.341 . . . . 15.0 111.214 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -109.94 121.29 44.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 174.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 445' ' ' THR . 14.4 pttm -120.34 119.68 33.82 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.274 -174.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 444' ' ' LYS . 6.1 t -89.97 150.26 22.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.963 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.07 -0.71 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.3 0.482 . . . . 15.0 112.3 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.29 -8.5 57.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.384 0.612 . . . . 15.0 110.024 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 37.79 6.65 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.325 -0.71 . . . . 15.0 111.325 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB2' HG22 ' A' ' 440' ' ' THR . 22.1 mtpp -124.64 118.12 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 439' ' ' LYS . 1.3 p -98.92 104.62 16.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.688 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 18.8 p90 -113.06 120.66 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 15.0 110.754 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 436' ' ' THR . 49.4 m-85 -90.42 116.28 28.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.029 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.31 125.06 35.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.663 -0.699 . . . . 15.0 109.873 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.689 HD21 HG22 ' A' ' 452' ' ' THR . 36.0 p-10 -117.12 138.74 51.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.324 0.583 . . . . 15.0 111.091 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.96 -4.36 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 15.0 109.633 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.667 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 35.3 mtp180 -66.46 -54.2 26.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.731 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.689 HG22 HD21 ' A' ' 449' ' ' ASN . 15.3 t -114.11 0.04 14.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.786 0.291 . . . . 15.0 111.786 174.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 67.43 36.11 3.98 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.817 0.447 . . . . 15.0 110.784 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.511 ' HB2' HG23 ' A' ' 452' ' ' THR . 52.2 mt-10 -138.14 150.07 46.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 15.0 111.319 -173.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.2 m -102.78 120.11 40.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.821 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 9.8 t -115.04 145.87 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.3 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.412 ' CE2' ' HE3' ' A' ' 444' ' ' LYS . 95.8 m-85 -88.53 0.03 56.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 15.0 111.455 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 13.2 pt-20 -100.82 150.01 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.88 110.11 37.41 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.342 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 4.5 Cg_exo -79.49 140.42 15.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.896 2.398 . . . . 15.0 111.873 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -79.74 7.01 9.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.217 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.974 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 16.9 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.945 0.402 . . . . 15.0 110.87 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 25.9 m95 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 46.0 p -90.5 132.2 35.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.874 0.369 . . . . 15.0 110.395 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -93.99 108.34 20.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.074 0.464 . . . . 15.0 110.474 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -126.32 119.44 27.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.73 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 445' ' ' THR . 18.4 pttm -119.36 131.12 55.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.139 0.495 . . . . 15.0 111.531 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.2 t -100.19 149.06 23.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.724 175.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.68 8.93 0.42 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.447 0.536 . . . . 15.0 112.447 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.44 -3.37 52.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.571 . . . . 15.0 109.64 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 27.73 20.07 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.865 -0.683 . . . . 15.0 111.678 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.414 ' HE2' ' CE2' ' A' ' 457' ' ' PHE . 55.8 mtpt -134.81 124.34 24.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.704 0.288 . . . . 15.0 110.917 -175.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.525 HG23 ' HB3' ' A' ' 439' ' ' LYS . 4.5 m -103.45 119.1 38.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.276 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 23.4 p90 -110.31 115.78 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.694 0.759 . . . . 15.0 110.633 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 436' ' ' THR . 82.8 m-85 -90.35 112.25 23.76 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.025 -0.988 . . . . 15.0 109.88 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -90.17 120.84 31.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.507 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 36.8 p-10 -111.16 144.11 40.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.884 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.9 p30 -82.54 -3.68 56.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.522 172.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.441 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 33.3 ttm180 -71.04 -62.81 1.26 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.672 -0.695 . . . . 15.0 110.69 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.451 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 14.0 p -104.54 0.2 28.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 15.0 110.912 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 450' ' ' ASN . 96.1 mt 61.07 58.92 2.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.903 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.16 150.07 31.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.213 0.53 . . . . 15.0 111.353 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.9 p -97.55 100.69 12.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 173.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.8 t -94.7 133.31 38.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 110.445 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 445' ' ' THR . 96.0 m-85 -84.55 -1.14 55.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.996 0.427 . . . . 15.0 111.033 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -96.45 125.04 40.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.39 117.85 28.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 15.0 111.691 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.44 123.95 13.35 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.764 2.31 . . . . 15.0 111.761 176.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -74.04 -8.51 56.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 15.0 111.397 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.711 0.291 . . . . 15.0 111.282 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.9 m95 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.866 -0.79 . . . . 15.0 108.866 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -89.94 123.45 33.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.846 0.355 . . . . 15.0 111.004 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 34.3 mt-10 -89.98 115.59 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.929 -175.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -121.89 121.99 38.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.33 -0.396 . . . . 15.0 110.915 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 445' ' ' THR . 21.5 tptm -95.34 109.28 21.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 174.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.1 t -92.58 148.65 21.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.828 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.23 1.18 1.65 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.237 0.541 . . . . 15.0 111.079 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.5 -7.7 49.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.436 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 26.47 23.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.376 -0.829 . . . . 15.0 112.339 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -145.98 139.09 25.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 15.0 111.591 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.569 HG23 ' HD3' ' A' ' 439' ' ' LYS . 3.7 p -92.93 114.66 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.18 173.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -107.77 135.0 49.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.41 0.624 . . . . 15.0 110.209 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 5.6 m-85 -99.89 115.19 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.24 -0.891 . . . . 15.0 109.999 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -90.03 121.83 32.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.26 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 3.5 p-10 -120.76 137.56 54.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.139 0.495 . . . . 15.0 111.356 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.488 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.5 p-10 -80.83 -3.21 50.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.342 -0.844 . . . . 15.0 110.175 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.93 -57.77 11.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.556 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.493 ' H ' HD22 ' A' ' 449' ' ' ASN . 17.1 p -114.89 0.18 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.683 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 450' ' ' ASN . 93.9 mt 61.96 55.78 2.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.464 0.65 . . . . 15.0 110.629 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -138.78 150.15 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.2 -0.909 . . . . 15.0 110.278 -176.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.6 m -98.93 106.51 18.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.8 t -99.73 150.11 22.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.76 -176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -100.33 5.01 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.02 0.438 . . . . 15.0 110.888 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 140.55 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.679 -0.489 . . . . 15.0 109.679 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.85 108.28 8.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.627 -0.26 . . . . 15.0 110.642 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.1 Cg_exo -64.68 137.3 53.6 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.933 2.422 . . . . 15.0 112.959 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -91.62 -9.52 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.623 0.725 . . . . 15.0 109.764 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.737 174.589 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.431 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 41.2 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.199 -0.667 . . . . 15.0 109.199 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 1.7 m -90.18 136.97 32.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.392 . . . . 15.0 111.459 -173.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -90.0 106.87 18.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.768 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -126.57 115.82 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 15.0 110.642 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -109.84 127.31 54.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.55 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -96.13 144.03 26.73 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 110.098 -0.334 . . . . 15.0 110.098 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.45 -5.56 5.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.585 -0.734 . . . . 15.0 111.551 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.92 -9.71 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.242 0.544 . . . . 15.0 110.469 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 36.52 7.09 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.936 -0.575 . . . . 15.0 112.297 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.01 138.72 20.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.066 0.46 . . . . 15.0 110.861 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.9 m -98.41 136.37 38.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.666 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 23.1 p90 -127.38 120.88 29.48 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.768 0.794 . . . . 15.0 110.071 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.5 m-85 -93.3 111.12 22.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.182 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -93.63 124.6 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.271 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -121.1 139.47 53.29 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.059 0.457 . . . . 15.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.475 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.2 p-10 -83.63 2.05 39.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.095 -0.957 . . . . 15.0 110.121 177.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.81 -62.53 1.8 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.309 0.576 . . . . 15.0 109.954 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -111.02 0.53 16.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.392 -0.822 . . . . 15.0 111.235 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 450' ' ' ASN . 89.9 mt 68.93 35.38 2.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.353 0.597 . . . . 15.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 452' ' ' THR . 43.7 mt-10 -126.99 149.93 49.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.318 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 27.9 t -105.36 117.67 34.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.903 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.2 t -104.25 133.77 48.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.663 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.62 -0.4 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.283 0.563 . . . . 15.0 109.956 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -110.17 140.31 44.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.333 -0.849 . . . . 15.0 109.706 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -74.96 120.83 83.53 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.853 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.57 147.12 35.47 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.879 2.386 . . . . 15.0 112.231 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -70.42 -10.66 59.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.508 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.431 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 12.0 mp0 . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 121.037 -0.265 . . . . 15.0 111.232 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 460' ' ' PRO . 23.4 m95 . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.9 p -101.64 114.04 27.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.492 -0.322 . . . . 15.0 110.53 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.3 pt-20 -89.94 122.04 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.392 0.615 . . . . 15.0 110.952 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -106.22 120.4 41.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.443 -0.799 . . . . 15.0 109.368 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 445' ' ' THR . 0.2 OUTLIER -94.2 114.95 27.16 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.454 -0.793 . . . . 15.0 110.548 -174.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -92.82 143.93 25.78 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -13.92 25.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.984 -0.553 . . . . 15.0 111.527 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.66 -13.59 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.694 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 37.66 6.63 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.862 -0.608 . . . . 15.0 111.904 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 440' ' ' THR . 29.0 mtmm -132.87 141.43 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -122.74 113.68 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.084 -0.339 . . . . 15.0 110.084 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 51.4 p90 -105.75 126.02 51.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 15.0 110.433 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 52.8 m-85 -90.41 112.4 23.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.178 -0.919 . . . . 15.0 110.031 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.98 117.7 28.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.548 . . . . 15.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' A' ' 451' ' ' ARG . 5.3 p-10 -135.17 141.71 45.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.375 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -89.99 -3.81 57.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.052 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.695 ' HB3' HD22 ' A' ' 449' ' ' ASN . 66.8 ttt180 -59.92 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.3 173.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.494 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 5.1 p -108.12 -0.02 21.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.632 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.47 27.14 13.5 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.777 0.431 . . . . 15.0 111.176 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.4 pt-20 -127.26 150.1 49.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.921 0.391 . . . . 15.0 110.955 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.4 m -96.64 100.43 11.99 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 169.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -90.1 126.15 35.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 15.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -80.69 -6.88 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.522 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -99.01 131.5 45.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.352 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -70.16 117.14 51.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 O-C-N 123.236 0.335 . . . . 15.0 111.672 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HG2' ' CE3' ' A' ' 435' ' ' TRP . 24.1 Cg_exo -65.33 139.24 58.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.851 2.368 . . . . 15.0 112.102 175.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.12 -12.14 61.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.348 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.457 176.799 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 46.2 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 m -90.02 116.1 27.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.921 0.391 . . . . 15.0 110.761 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.5 pt-20 -89.8 126.36 35.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.261 0.553 . . . . 15.0 111.177 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.87 109.53 19.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.3 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.8 ptpp? -90.22 107.69 19.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.378 0.609 . . . . 15.0 110.063 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -93.98 142.87 26.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.943 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.32 3.73 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.42 -4.29 14.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.97 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.97 15.9 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 115.54 -0.754 . . . . 15.0 112.799 173.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.727 ' HD2' ' CE2' ' A' ' 457' ' ' PHE . 14.0 pttp -150.31 136.93 19.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.349 0.595 . . . . 15.0 112.451 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.2 p -98.95 110.57 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.853 . . . . 15.0 109.955 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -109.98 129.96 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.405 0.622 . . . . 15.0 110.753 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.628 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 10.9 m-85 -95.8 117.27 30.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.972 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -99.23 127.81 45.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.599 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 451' ' ' ARG . 29.6 p-10 -122.64 143.64 49.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.32 0.581 . . . . 15.0 111.133 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.57 2.57 32.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.32 173.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB2' HD22 ' A' ' 449' ' ' ASN . 85.5 mtt180 -74.53 -45.36 46.21 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.463 -0.335 . . . . 15.0 111.143 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.2 p -116.56 0.23 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.527 0.566 . . . . 15.0 112.527 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 56.79 48.64 15.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.307 0.575 . . . . 15.0 110.153 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.78 150.03 36.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.822 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.0 p -99.44 109.28 21.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.723 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.6 t -99.89 139.65 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 15.0 110.128 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . 0.727 ' CE2' ' HD2' ' A' ' 444' ' ' LYS . 94.1 m-85 -93.46 1.04 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.25 0.548 . . . . 15.0 110.228 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -92.8 132.75 36.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.215 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -77.45 110.29 12.1 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.655 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.25 126.0 17.6 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.005 2.47 . . . . 15.0 112.512 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -85.2 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.696 -177.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m95 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -89.69 108.61 19.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.146 0.498 . . . . 15.0 110.828 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.0 pt-20 -92.72 126.73 37.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.499 -176.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 85.2 m-85 -123.08 130.28 52.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 173.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.628 ' HB3' HG22 ' A' ' 445' ' ' THR . 20.2 pttp -102.34 117.2 34.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.354 0.597 . . . . 15.0 110.936 178.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -89.7 150.07 22.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.568 -0.742 . . . . 15.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.99 -9.58 3.24 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.838 0.711 . . . . 15.0 111.758 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.24 -10.32 58.55 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.443 0.639 . . . . 15.0 110.013 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 34.75 7.9 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.732 175.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -143.94 135.06 25.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.922 0.391 . . . . 15.0 111.515 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 439' ' ' LYS . 4.7 p -98.17 119.52 36.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.977 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 46.6 p90 -111.38 124.53 52.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 15.0 110.454 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 14.8 m-85 -95.31 116.92 29.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.254 -0.884 . . . . 15.0 109.576 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -89.75 119.7 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.51 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 31.9 p-10 -114.01 136.26 53.1 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 15.0 110.958 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -74.01 -8.17 55.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.894 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 39.1 ttm180 -71.23 -46.88 60.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.878 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -111.58 -2.86 15.3 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.689 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mp 59.03 31.5 21.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.189 0.519 . . . . 15.0 109.745 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -132.86 150.24 52.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.635 -0.711 . . . . 15.0 111.058 -168.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -93.99 100.4 12.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.3 t -94.98 144.09 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 15.0 111.055 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -98.97 2.87 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.661 0.744 . . . . 15.0 109.822 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -95.88 121.52 37.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.103 -0.953 . . . . 15.0 110.011 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 9.3 mtpm? -64.16 120.38 63.91 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 15.0 110.655 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 60.0 Cg_endo -80.02 139.74 13.77 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.695 2.264 . . . . 15.0 111.982 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -71.38 -11.75 61.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 15.0 111.226 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.458 ' HG2' HH22 ' A' ' 451' ' ' ARG . 58.1 mp0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.12 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.451 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 22.0 m95 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.94 121.31 31.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.668 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 123.0 33.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.177 0.513 . . . . 15.0 111.261 -175.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.73 121.96 36.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.371 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 13.7 ptmm? -108.27 117.3 33.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.593 0.711 . . . . 15.0 110.854 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -89.92 149.5 22.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.411 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -7.26 6.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.393 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.79 -13.98 62.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 15.0 110.143 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 34.82 7.73 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.702 -0.681 . . . . 15.0 112.029 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -132.07 129.45 39.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.282 . . . . 15.0 110.855 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 1.7 m -101.75 105.59 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.26 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.4 p90 -106.49 123.27 47.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.394 0.616 . . . . 15.0 110.756 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.18 117.14 28.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.281 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 15.0 109.84 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.679 HD22 ' HB2' ' A' ' 451' ' ' ARG . 5.3 p-10 -123.7 130.85 53.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 15.0 110.736 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.25 -8.71 57.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.919 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.679 ' HB2' HD22 ' A' ' 449' ' ' ASN . 41.5 mtp180 -60.13 -45.18 93.88 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.038 0.447 . . . . 15.0 110.881 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -6.04 15.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.35 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 453' ' ' LEU . 3.6 mm? 58.2 29.29 17.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.468 0.651 . . . . 15.0 109.38 -169.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -130.66 150.22 51.95 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.376 -0.829 . . . . 15.0 110.38 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.6 p -95.35 113.6 25.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.504 176.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -97.84 130.16 44.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 15.0 110.551 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -86.13 6.44 29.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 15.0 110.327 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.28 125.21 50.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.333 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.63 116.52 18.58 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-O 120.972 0.415 . . . . 15.0 111.457 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -89.33 135.71 2.68 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.283 2.656 . . . . 15.0 112.056 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.54 3.45 40.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.435 -0.348 . . . . 15.0 111.675 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 19.6 mm-40 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 120.796 0.331 . . . . 15.0 110.496 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.9 m -99.31 121.94 41.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.79 0.329 . . . . 15.0 110.567 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 84.9 tt0 -91.95 122.0 34.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.665 -173.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -118.51 126.63 52.44 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 172.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.83 122.01 42.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 15.0 110.734 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.9 t -90.59 150.07 21.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.2 -0.33 3.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.829 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.52 -5.46 56.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.316 0.579 . . . . 15.0 109.762 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.99 10.36 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.749 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' O ' HG22 ' A' ' 440' ' ' THR . 51.0 mtpt -133.63 130.75 38.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.62 0.248 . . . . 15.0 110.602 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 p -104.3 118.56 36.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.464 -0.335 . . . . 15.0 110.299 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.624 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.5 p90 -111.32 123.57 50.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 15.0 110.469 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 455' ' ' SER . 13.9 m-85 -92.75 114.15 26.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 15.0 110.359 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.53 126.78 35.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -136.45 146.96 46.94 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.147 -0.478 . . . . 15.0 110.723 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -86.15 2.46 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.149 -0.932 . . . . 15.0 111.423 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -82.72 -43.36 16.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.855 0.36 . . . . 15.0 110.274 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 21.4 p -109.46 0.1 19.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.402 173.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.62 33.16 21.93 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.016 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.412 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -149.96 150.37 31.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.079 -173.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.624 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 13.2 p -91.03 116.38 28.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.824 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.4 t -96.49 150.0 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.447 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.36 -2.69 57.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.757 0.313 . . . . 15.0 111.426 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.9 mt-10 -86.57 149.08 25.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.513 176.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -92.14 107.15 20.99 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.429 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 29.7 Cg_exo -62.19 139.18 76.61 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.378 2.718 . . . . 15.0 113.274 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -94.37 -13.0 26.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.559 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.394 176.503 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.641 0.257 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.66 122.53 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.273 0.559 . . . . 15.0 110.348 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.2 m -89.57 96.98 10.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.089 0.471 . . . . 15.0 110.627 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -84.02 -9.81 58.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.707 0.765 . . . . 15.0 109.288 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -102.19 112.72 25.5 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.074 -0.966 . . . . 15.0 108.638 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 5.6 m -93.41 135.6 34.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.736 0.303 . . . . 15.0 110.902 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.8 109.86 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.434 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -120.66 115.24 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.137 -0.483 . . . . 15.0 109.907 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -115.0 116.84 29.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.916 0.389 . . . . 15.0 111.165 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.5 t -90.05 149.95 22.3 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.094 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.06 15.01 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.806 0.692 . . . . 15.0 111.839 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.65 -13.01 61.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.488 0.661 . . . . 15.0 110.546 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 33.36 8.65 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.93 -0.653 . . . . 15.0 111.834 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -122.47 122.42 38.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.765 0.316 . . . . 15.0 110.738 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 18.1 p -96.57 104.61 16.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.089 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 8.6 p90 -105.02 117.48 34.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.583 0.706 . . . . 15.0 110.168 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 71.5 m-85 -89.92 114.19 25.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.042 -0.981 . . . . 15.0 110.417 -177.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -90.06 120.34 31.17 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.885 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -127.61 147.56 50.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 15.0 110.0 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.08 5.6 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 15.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -76.48 -42.38 43.8 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.087 0.47 . . . . 15.0 110.306 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.0 p -113.77 -0.06 14.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.838 -0.619 . . . . 15.0 111.478 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.39 29.46 18.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.201 0.524 . . . . 15.0 109.824 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -129.56 145.16 51.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.185 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.547 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 11.1 p -91.17 109.95 21.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.907 -0.588 . . . . 15.0 109.568 171.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.8 t -97.13 143.78 27.61 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.7 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -93.74 4.25 54.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.213 0.53 . . . . 15.0 110.462 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.12 120.5 39.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.923 -0.581 . . . . 15.0 109.538 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -61.22 119.93 50.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.367 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 57.4 Cg_exo -52.28 125.99 19.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.176 2.584 . . . . 15.0 113.051 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.3 -12.15 61.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.831 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -99.22 -3.18 34.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.841 0.353 . . . . 15.0 110.869 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.461 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 47.8 tp -87.36 99.1 11.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.954 0.406 . . . . 15.0 110.275 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 14.2 ttpp . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.638 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.734 0.302 . . . . 15.0 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.53 -1.19 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.748 0.785 . . . . 15.0 109.873 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -78.46 99.73 6.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.985 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.565 ' OE2' ' HB2' ' A' ' 451' ' ' ARG . 29.9 tt0 -81.92 -16.86 49.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.92 0.867 . . . . 15.0 109.101 173.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.782 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 13.8 m95 -109.55 106.7 16.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.746 -1.115 . . . . 15.0 108.777 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -91.13 112.82 24.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.0 0.429 . . . . 15.0 111.276 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 5.8 pt-20 -90.0 106.14 18.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.503 0.668 . . . . 15.0 111.779 -175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.41 117.8 31.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.663 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -95.59 118.1 31.66 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.197 0.522 . . . . 15.0 110.385 -177.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.1 t -104.28 150.25 24.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.608 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.88 -4.91 10.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.21 0.528 . . . . 15.0 110.795 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -71.65 -5.67 35.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.514 -0.766 . . . . 15.0 110.102 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 31.73 10.46 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 115.892 -0.595 . . . . 15.0 111.838 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.67 ' HD3' ' HE2' ' A' ' 457' ' ' PHE . 80.1 mttt -139.04 135.23 34.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.91 0.385 . . . . 15.0 111.585 -172.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 439' ' ' LYS . 3.4 p -109.89 92.67 4.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.646 170.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 47.5 p90 -92.41 122.59 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.393 0.615 . . . . 15.0 110.949 -177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 8.7 m-85 -92.48 111.97 23.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.009 -0.996 . . . . 15.0 110.08 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -90.05 125.79 35.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.887 -0.412 . . . . 15.0 109.887 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 451' ' ' ARG . 28.7 p-10 -121.66 148.41 44.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 15.0 110.972 -178.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -83.63 -9.08 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.069 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.582 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 20.1 ttm180 -70.36 -40.93 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.543 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 1.2 m -117.59 -2.14 11.52 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.993 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.9 mt 56.67 32.88 21.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.076 0.465 . . . . 15.0 110.304 -173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.436 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 56.5 mm-40 -129.76 149.94 51.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.677 -0.692 . . . . 15.0 112.118 -170.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 446' ' ' TYR . 16.5 m -99.47 109.13 21.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.4 171.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.1 t -91.7 137.79 32.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.887 0.375 . . . . 15.0 110.675 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.67 ' HE2' ' HD3' ' A' ' 444' ' ' LYS . 87.9 m-85 -90.09 -2.94 58.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.23 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.16 140.29 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.32 177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -74.16 114.96 38.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.433 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.7 150.4 62.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.685 2.923 . . . . 15.0 114.194 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -79.32 -16.94 55.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.15 -0.932 . . . . 15.0 111.376 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.782 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.7 mm-40 -81.46 -4.61 56.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 15.0 110.988 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 38.0 tp -120.01 101.13 7.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.247 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.539 -0.743 . . . . 15.0 109.869 -179.611 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.545 0.212 . . . . 15.0 111.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.6 p -101.11 101.91 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.565 0.698 . . . . 15.0 110.919 -176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.3 t -120.06 123.23 42.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.929 -0.578 . . . . 15.0 109.751 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.41 -14.11 60.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.207 0.527 . . . . 15.0 110.365 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.655 ' HB2' HD12 ' A' ' 463' ' ' LEU . 15.4 m95 -129.14 119.46 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.119 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 13.2 t -111.98 121.41 44.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.169 0.509 . . . . 15.0 110.044 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.598 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 1.2 pm0 -94.5 119.79 33.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.397 0.618 . . . . 15.0 111.379 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.07 129.09 54.06 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.456 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -100.86 123.64 45.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.294 -0.412 . . . . 15.0 110.937 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 444' ' ' LYS . 12.0 t -90.17 148.78 22.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.89 -18.29 43.55 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.531 0.519 . . . . 15.0 111.67 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.02 -13.13 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.816 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.21 38.54 6.32 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.907 -0.663 . . . . 15.0 111.867 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 440' ' ' THR . 29.8 mtmm -132.82 124.89 28.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.857 0.36 . . . . 15.0 110.677 177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.0 m -94.89 106.59 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 15.0 110.024 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 42.1 p90 -96.79 119.89 36.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.371 0.605 . . . . 15.0 110.275 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 42.2 m-85 -92.62 113.4 25.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.238 -0.892 . . . . 15.0 110.026 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.93 117.37 28.69 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.581 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 8.4 p30 -123.25 143.42 50.06 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.349 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.517 ' HA ' HD13 ' A' ' 453' ' ' LEU . 2.8 p-10 -83.56 5.69 23.25 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.628 175.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 42.7 ttm180 -61.18 -55.88 27.15 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 173.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 5.2 p -114.5 0.27 13.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.883 -0.599 . . . . 15.0 112.054 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mm? 65.16 29.19 12.0 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.489 0.661 . . . . 15.0 109.642 -175.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -127.77 143.07 51.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.985 -1.007 . . . . 15.0 109.743 -173.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.443 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 11.4 t -90.4 120.99 31.98 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.921 -0.4 . . . . 15.0 109.921 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.8 t -120.5 146.67 46.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 15.0 110.243 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -90.3 4.69 50.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 15.0 111.215 -175.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.83 144.53 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.754 -0.462 . . . . 15.0 109.754 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.91 112.46 52.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.48 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.77 145.2 97.41 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.507 2.804 . . . . 15.0 112.942 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -108.09 -7.56 16.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.426 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -94.32 -0.88 54.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 15.0 110.965 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 435' ' ' TRP . 0.0 OUTLIER -107.6 11.86 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.741 -0.837 . . . . 15.0 108.741 -179.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.222 -0.894 . . . . 15.0 110.429 179.313 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.237 0.541 . . . . 15.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.33 -38.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.336 -0.847 . . . . 15.0 110.317 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.6 m -111.74 121.42 45.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.585 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -70.45 -21.21 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.703 0.287 . . . . 15.0 110.814 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.736 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 33.3 m95 -130.76 114.26 15.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 15.0 109.937 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.4 p -102.24 130.06 48.81 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.016 -0.365 . . . . 15.0 110.016 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.644 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 46.8 mt-10 -89.9 115.17 27.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.688 0.28 . . . . 15.0 111.234 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.22 110.46 21.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 169.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.622 ' HB3' HG22 ' A' ' 445' ' ' THR . 24.9 pttm -109.86 117.13 33.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.427 0.632 . . . . 15.0 111.447 -173.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.537 ' CG2' ' HB2' ' A' ' 444' ' ' LYS . 5.7 t -101.12 150.17 23.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.298 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.52 -6.41 7.4 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.069 0.396 . . . . 15.0 112.069 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.55 -3.06 25.48 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.408 0.623 . . . . 15.0 110.327 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.59 23.06 37.63 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.516 -0.634 . . . . 15.0 111.516 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.537 ' HB2' ' CG2' ' A' ' 440' ' ' THR . 44.0 mmtm -116.97 120.93 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.998 0.428 . . . . 15.0 110.899 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 439' ' ' LYS . 13.1 p -105.08 94.92 5.5 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.232 -0.655 . . . . 15.0 109.232 170.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 28.6 p90 -97.37 119.3 35.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.634 0.731 . . . . 15.0 110.438 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.644 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 8.9 m-85 -89.77 118.36 29.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.851 -1.068 . . . . 15.0 110.437 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -90.13 112.71 24.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.061 -0.718 . . . . 15.0 109.061 175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.45 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 10.1 p30 -114.46 144.07 43.93 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.646 -0.707 . . . . 15.0 110.749 -176.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 453' ' ' LEU . 9.6 p30 -85.05 3.76 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.725 -0.671 . . . . 15.0 109.792 175.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.45 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 14.5 ttt180 -67.24 -59.76 3.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 15.0 110.303 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.8 p -112.88 0.51 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.73 173.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.5 mm? 63.25 57.79 1.5 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.132 0.491 . . . . 15.0 110.999 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.07 150.21 31.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.978 -0.556 . . . . 15.0 110.816 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HD2' ' A' ' 446' ' ' TYR . 15.6 m -95.27 104.47 16.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.597 -0.52 . . . . 15.0 109.597 173.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 t -108.72 150.06 28.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.819 0.342 . . . . 15.0 110.916 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -87.96 1.06 55.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.388 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.58 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 11.4 pt-20 -84.23 139.39 32.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.384 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -96.05 100.33 6.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 6.0 Cg_exo -79.43 139.02 14.25 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.649 2.232 . . . . 15.0 112.5 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.67 4.0 4.45 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.947 -0.57 . . . . 15.0 110.748 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.736 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.6 mm-40 -76.15 -11.43 59.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.228 0.537 . . . . 15.0 109.921 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 435' ' ' TRP . 41.9 tp -85.12 143.67 28.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.863 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 464' ' ' LYS . 10.7 mptt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.398 -0.811 . . . . 15.0 110.369 -175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.674 0.273 . . . . 15.0 110.663 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.3 p -97.12 111.35 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.407 0.623 . . . . 15.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 53.3 p -119.93 113.94 21.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.024 175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.27 -17.91 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.37 . . . . 15.0 110.475 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.463 ' HB2' HD13 ' A' ' 463' ' ' LEU . 28.2 m95 -106.09 101.01 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 15.0 109.792 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 29.1 m -101.88 124.18 47.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 15.0 110.412 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.674 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.6 pt-20 -89.83 128.55 36.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.125 0.488 . . . . 15.0 111.473 -175.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -119.17 115.23 23.79 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 15.0 109.376 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 439' ' ' LYS . 8.3 ptpp? -97.51 120.51 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 15.0 111.392 -174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 442' ' ' ASP . 4.0 t -96.93 150.08 21.16 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.972 177.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.77 -6.09 2.42 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.132 0.419 . . . . 15.0 112.132 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 440' ' ' THR . 18.3 t70 -64.67 -16.44 62.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.188 0.518 . . . . 15.0 110.513 173.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.96 18.94 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.183 -1.167 . . . . 15.0 110.183 -173.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB3' ' CG2' ' A' ' 440' ' ' THR . 0.1 OUTLIER -125.04 131.91 53.29 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.765 -0.717 . . . . 15.0 110.327 -173.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.6 p -114.14 99.23 7.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.418 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -96.97 129.59 44.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 15.0 110.036 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.674 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 49.2 m-85 -96.9 117.16 30.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.832 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.75 122.78 33.16 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.374 -0.83 . . . . 15.0 109.406 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.48 ' OD1' HG22 ' A' ' 452' ' ' THR . 9.3 p30 -133.54 143.49 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.609 . . . . 15.0 110.624 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -83.99 -1.98 55.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.556 -0.747 . . . . 15.0 110.884 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -67.44 -52.13 43.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 15.0 110.307 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.575 HG23 ' HB3' ' A' ' 454' ' ' GLU . 12.4 t -106.16 -0.11 24.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 62.74 30.78 16.8 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.893 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 452' ' ' THR . 36.8 tt0 -147.13 149.91 33.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.549 -0.296 . . . . 15.0 110.764 -172.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.0 m -89.81 113.15 24.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.002 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -98.92 147.36 25.05 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.022 -0.536 . . . . 15.0 110.498 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -94.14 0.67 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.217 0.532 . . . . 15.0 109.953 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -107.32 121.87 45.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.566 -0.743 . . . . 15.0 110.258 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -78.36 117.47 66.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.995 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -84.61 150.28 11.48 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.846 2.364 . . . . 15.0 112.007 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -74.33 3.34 7.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.402 0.62 . . . . 15.0 110.751 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -75.98 -11.33 59.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.065 0.459 . . . . 15.0 110.25 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 435' ' ' TRP . 56.6 tp -95.57 116.79 29.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 15.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 464' ' ' LYS . 8.7 mptt . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.367 -0.825 . . . . 15.0 110.003 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.462 ' HB1' ' HD1' ' A' ' 435' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 121.031 0.443 . . . . 15.0 110.339 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.28 -39.01 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.715 -0.675 . . . . 15.0 112.024 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.9 p -109.18 -15.78 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.853 0.686 . . . . 15.0 112.853 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.98 -20.61 28.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.663 0.246 . . . . 15.0 111.663 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 57.9 m95 -135.2 113.58 11.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.172 -0.307 . . . . 15.0 110.172 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.471 ' OG1' ' HB3' ' A' ' 448' ' ' TYR . 21.8 p -100.27 109.05 21.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.83 106.16 18.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.464 0.65 . . . . 15.0 110.887 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.43 ' CE2' ' HB ' ' A' ' 436' ' ' THR . 93.1 m-85 -104.21 111.68 24.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.116 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -96.47 105.27 17.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.682 -0.69 . . . . 15.0 109.829 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.533 ' CG2' ' HG2' ' A' ' 444' ' ' LYS . 8.7 t -97.47 145.46 26.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.196 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.11 -1.39 7.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.78 -0.645 . . . . 15.0 111.269 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' A' ' 444' ' ' LYS . 21.3 t0 -73.55 -2.1 21.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.476 0.655 . . . . 15.0 109.812 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.27 34.58 7.99 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.628 -0.714 . . . . 15.0 112.388 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.533 ' HG2' ' CG2' ' A' ' 440' ' ' THR . 0.0 OUTLIER -150.08 136.15 18.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 15.0 111.601 178.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.9 p -100.05 108.21 20.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.892 -0.595 . . . . 15.0 109.756 170.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.43 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 34.4 p90 -101.93 118.67 37.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.667 0.746 . . . . 15.0 110.474 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 436' ' ' THR . 25.0 m-85 -96.32 111.67 23.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.927 -1.033 . . . . 15.0 109.679 -178.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.471 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 67.0 t80 -89.85 119.85 30.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.013 0.435 . . . . 15.0 110.137 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.524 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -123.86 144.24 49.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.776 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -84.26 4.47 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.188 -0.915 . . . . 15.0 110.0 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -69.3 -51.63 35.3 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.859 0.361 . . . . 15.0 110.04 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 454' ' ' GLU . 13.6 t -110.2 -0.05 17.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.937 175.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.1 mp 66.05 30.83 9.36 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.05 0.452 . . . . 15.0 110.461 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.603 ' HB2' HG23 ' A' ' 452' ' ' THR . 49.7 mt-10 -138.0 150.11 46.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.622 -173.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 20.4 t -95.23 118.36 31.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.975 -0.557 . . . . 15.0 109.734 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.2 t -111.82 144.47 41.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 97.7 m-85 -89.34 -2.23 58.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 15.0 110.613 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.55 135.61 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.002 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.7 111.07 22.92 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.9 -175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 463' ' ' LEU . 48.2 Cg_exo -56.38 133.36 57.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.408 2.739 . . . . 15.0 113.367 -176.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -76.77 -20.84 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.565 -0.743 . . . . 15.0 110.172 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -95.17 8.56 42.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 15.0 111.225 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 460' ' ' PRO . 5.1 tt -87.53 108.8 19.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.283 0.563 . . . . 15.0 110.198 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.296 -0.859 . . . . 15.0 108.694 178.303 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.866 0.365 . . . . 15.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.81 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.397 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 42.8 t -113.92 129.45 56.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.68 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.03 -12.66 49.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.495 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -101.94 107.94 19.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.357 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 14.1 m -107.63 114.76 28.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.201 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 447' ' ' TYR . 5.1 pt-20 -89.92 130.04 36.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 15.0 112.276 -174.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 89.8 m-85 -127.01 128.21 46.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.23 172.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.711 ' HB3' HG22 ' A' ' 445' ' ' THR . 0.0 OUTLIER -103.06 123.59 46.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.167 0.508 . . . . 15.0 111.088 177.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.1 t -90.04 150.35 22.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.854 -0.612 . . . . 15.0 109.732 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -11.55 6.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.275 -0.42 . . . . 15.0 112.044 -176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.4 -12.46 60.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.372 0.606 . . . . 15.0 110.38 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 30.35 13.0 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.671 ' HE2' ' CD2' ' A' ' 457' ' ' PHE . 80.5 tttt -131.82 128.17 38.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.91 0.386 . . . . 15.0 110.132 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.711 HG22 ' HB3' ' A' ' 439' ' ' LYS . 9.2 p -101.31 125.96 48.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.226 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 457' ' ' PHE . 50.6 p90 -121.69 132.2 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 15.0 110.748 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 437' ' ' GLU . 18.3 m-85 -98.91 112.79 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.476 -0.783 . . . . 15.0 110.051 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.87 119.22 30.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.742 HD21 HG22 ' A' ' 452' ' ' THR . 6.1 p-10 -118.4 133.52 55.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.408 0.623 . . . . 15.0 111.568 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.88 -3.4 31.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.901 -1.045 . . . . 15.0 110.594 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.664 ' HB3' HD22 ' A' ' 449' ' ' ASN . 45.0 ttm180 -60.07 -52.16 66.53 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.148 0.499 . . . . 15.0 110.383 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.921 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -118.33 0.4 11.67 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.877 -0.601 . . . . 15.0 112.127 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.7 mp 64.87 39.48 5.97 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.313 0.577 . . . . 15.0 110.749 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.921 ' HB2' HG23 ' A' ' 452' ' ' THR . 0.1 OUTLIER -128.29 150.09 50.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.829 . . . . 15.0 109.824 -176.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.6 m -103.19 108.3 19.44 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.7 t -96.54 122.85 39.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.269 0.557 . . . . 15.0 110.783 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.671 ' CD2' ' HE2' ' A' ' 444' ' ' LYS . 91.9 m-85 -82.7 -3.23 56.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.431 0.634 . . . . 15.0 109.667 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -99.49 122.84 43.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.093 -0.958 . . . . 15.0 109.201 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.65 117.85 59.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.876 -0.602 . . . . 15.0 112.209 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -71.87 138.21 31.01 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.656 2.237 . . . . 15.0 111.754 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -7.45 56.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 15.0 111.839 -174.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -80.99 -6.22 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.77 0.285 . . . . 15.0 111.77 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.54 113.47 11.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.23 -0.655 . . . . 15.0 109.23 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 8.4 pttm . . . . . 0 C--O 1.248 1.021 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.716 -178.064 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 121.105 0.479 . . . . 15.0 110.64 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 31.5 t -77.12 -22.62 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.66 . . . . 15.0 110.348 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.1 m -64.32 116.24 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.428 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -72.02 -11.86 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.437 0.636 . . . . 15.0 110.738 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.71 ' NE1' ' HB2' ' A' ' 462' ' ' GLU . 19.3 m95 -109.13 103.07 11.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.41 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 448' ' ' TYR . 11.3 t -99.66 120.33 39.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 15.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.1 pt-20 -95.03 117.92 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.495 0.664 . . . . 15.0 111.788 -176.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.476 ' HE1' ' HG1' ' A' ' 436' ' ' THR . 40.0 m-85 -112.91 115.02 27.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.868 . . . . 15.0 108.788 172.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 12.2 ptmm? -101.73 126.36 48.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.497 0.665 . . . . 15.0 111.524 -171.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -94.41 149.77 20.92 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.28 -0.873 . . . . 15.0 110.385 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 -7.9 11.41 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.715 . . . . 15.0 111.208 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.66 -15.01 62.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.29 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 35.11 7.74 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.616 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -133.09 128.34 35.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.77 0.319 . . . . 15.0 110.685 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 3.6 m -103.78 98.87 8.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.092 -0.504 . . . . 15.0 109.956 177.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.552 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 38.8 p90 -95.96 122.8 39.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.718 0.771 . . . . 15.0 110.784 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 22.6 m-85 -89.85 122.03 32.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.796 -1.093 . . . . 15.0 109.407 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 436' ' ' THR . 20.4 t80 -90.25 107.77 19.35 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.94 -0.763 . . . . 15.0 108.94 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -117.35 124.55 49.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.544 -0.753 . . . . 15.0 111.092 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -75.31 -5.95 47.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.084 -0.962 . . . . 15.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -60.02 -50.09 75.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.747 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.498 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.1 OUTLIER -113.93 0.18 14.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.791 -0.641 . . . . 15.0 112.169 175.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 94.4 mt 65.27 28.17 12.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.725 0.41 . . . . 15.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 0.3 OUTLIER -138.36 150.2 46.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.295 -175.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 14.8 m -90.74 114.66 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 15.0 111.305 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.6 t -98.33 145.52 26.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.343 -0.389 . . . . 15.0 110.478 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 99.2 m-85 -97.68 3.97 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.478 . . . . 15.0 110.241 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -101.56 123.71 46.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.004 -178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -61.96 113.69 9.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.109 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.22 141.4 6.96 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.179 2.586 . . . . 15.0 112.626 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -83.07 2.71 33.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.77 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.71 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 4.4 mm-40 -77.14 -12.21 59.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.207 0.527 . . . . 15.0 110.228 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 435' ' ' TRP . 2.4 tt -87.59 101.24 13.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.513 -177.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.55 -0.75 . . . . 15.0 109.478 -178.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.08 78.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 122.159 0.98 . . . . 15.0 111.3 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.9 t -120.05 115.36 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.398 -0.819 . . . . 15.0 109.626 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -83.29 -0.59 50.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.491 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 69.6 m95 -118.4 107.37 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.298 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.6 p -95.7 118.74 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.92 0.391 . . . . 15.0 110.423 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.13 108.6 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.687 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -107.55 110.62 22.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.223 -0.658 . . . . 15.0 109.223 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -105.31 125.1 50.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.237 0.541 . . . . 15.0 110.53 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -108.04 150.36 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.88 -0.6 . . . . 15.0 109.94 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.49 -5.2 10.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -71.01 -9.12 57.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.44 0.638 . . . . 15.0 110.355 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 34.21 8.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.803 -0.713 . . . . 15.0 111.664 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -131.68 126.83 35.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.755 0.312 . . . . 15.0 111.094 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 48.1 p -108.69 100.44 9.68 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.4 -0.593 . . . . 15.0 109.4 171.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -100.62 114.37 27.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.725 0.774 . . . . 15.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.585 ' HA ' ' O ' ' A' ' 436' ' ' THR . 6.3 m-85 -96.08 118.94 33.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.467 -1.242 . . . . 15.0 109.632 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -89.93 121.35 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.191 0.52 . . . . 15.0 109.611 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.541 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 9.0 p30 -125.72 141.43 52.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.825 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.527 ' HA ' HD13 ' A' ' 453' ' ' LEU . 0.1 OUTLIER -80.53 3.12 22.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.569 175.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.0 -50.87 25.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-O 121.166 0.507 . . . . 15.0 110.051 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.5 m -108.75 -0.21 20.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.218 175.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mm? 60.18 26.9 16.34 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.525 0.678 . . . . 15.0 109.927 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -123.61 145.34 48.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.781 -1.1 . . . . 15.0 110.96 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.2 t -91.63 106.93 18.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.693 -0.854 . . . . 15.0 108.693 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.8 t -101.9 133.11 47.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.001 0.429 . . . . 15.0 111.1 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -83.24 3.18 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.967 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -101.73 145.09 29.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -80.62 116.32 61.27 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.597 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.95 130.91 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.568 2.179 . . . . 15.0 112.195 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -77.98 -15.82 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.344 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -86.2 4.83 36.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.768 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.57 132.27 44.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.831 -0.622 . . . . 15.0 109.879 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.67 -0.681 . . . . 15.0 110.8 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.735 0.302 . . . . 15.0 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.45 140.92 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.992 0.425 . . . . 15.0 110.472 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.5 m -105.74 136.54 45.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.043 0.449 . . . . 15.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.63 109.64 21.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.36 0.6 . . . . 15.0 109.683 173.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -90.13 130.2 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.382 -0.826 . . . . 15.0 109.375 -175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 m -89.68 115.94 27.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.959 0.409 . . . . 15.0 110.824 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 439' ' ' LYS . 1.3 tt0 -90.23 121.15 31.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.668 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 446' ' ' TYR . 86.5 m-85 -110.55 110.2 20.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 15.0 109.54 172.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB2' ' OE2' ' A' ' 437' ' ' GLU . 4.6 ttmp? -92.21 111.08 22.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.733 -0.667 . . . . 15.0 110.478 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.1 t -93.88 146.96 23.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.285 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.3 -1.64 2.51 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.795 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.48 -11.12 60.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.495 0.664 . . . . 15.0 109.73 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.79 8.58 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.662 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 440' ' ' THR . 29.1 mtmm -138.1 127.39 24.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.403 . . . . 15.0 111.203 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 p -98.98 106.69 18.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.288 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.51 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 52.3 p90 -103.18 123.98 47.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.478 0.656 . . . . 15.0 110.744 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -90.14 110.58 21.59 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.159 -0.928 . . . . 15.0 109.443 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -90.21 126.81 35.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.301 0.572 . . . . 15.0 110.158 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -129.85 141.66 50.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.334 -0.848 . . . . 15.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -87.98 5.92 38.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.367 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -68.62 -54.91 13.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.308 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.8 m -105.46 -0.52 25.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.136 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.4 mp 62.88 31.98 16.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.9 -0.591 . . . . 15.0 111.405 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.761 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 15.6 pt-20 -134.81 149.83 50.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.213 -0.449 . . . . 15.0 111.319 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.7 p -94.79 109.66 21.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 15.0 110.191 173.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 12.7 t -101.45 139.37 37.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.169 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 94.0 m-85 -90.58 0.33 57.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.066 0.46 . . . . 15.0 110.619 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.51 135.62 39.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.753 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -77.29 121.68 84.92 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 15.0 111.23 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.87 148.96 35.55 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.403 2.736 . . . . 15.0 113.123 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -91.77 -16.57 26.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.629 . . . . 15.0 110.339 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -91.16 -21.98 20.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 15.0 111.607 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -119.98 107.08 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 121.156 -0.217 . . . . 15.0 110.565 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 67.5 mttm . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.625 -0.702 . . . . 15.0 109.764 177.074 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.788 0.328 . . . . 15.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.75 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.587 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 32.7 t -76.81 125.79 29.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.171 -0.307 . . . . 15.0 110.171 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 42.5 mt-10 -73.17 -21.2 60.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.847 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 24.8 m95 -114.89 124.05 50.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.836 0.35 . . . . 15.0 110.521 -173.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 22.8 p -106.74 134.13 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.818 175.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 13.0 pt-20 -91.01 101.53 14.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.538 0.685 . . . . 15.0 111.181 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -107.89 96.24 6.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.427 0.632 . . . . 15.0 109.934 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.833 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.1 OUTLIER -99.25 107.46 19.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.284 -0.871 . . . . 15.0 109.741 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -95.73 146.47 24.49 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.515 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.88 1.97 2.29 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.483 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.1 -10.08 57.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.649 0.738 . . . . 15.0 109.378 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.31 30.97 11.15 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.186 -0.915 . . . . 15.0 112.261 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 457' ' ' PHE . 14.6 pttm -150.04 137.11 19.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 15.0 111.119 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.1 m -101.22 123.03 44.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CE1' ' A' ' 457' ' ' PHE . 32.5 p90 -113.43 117.49 31.88 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.708 0.766 . . . . 15.0 110.467 175.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 436' ' ' THR . 42.6 m-85 -90.12 113.42 25.17 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.802 -1.09 . . . . 15.0 109.203 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -90.27 118.37 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 15.0 110.209 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.601 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 33.5 p-10 -112.32 137.57 50.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.395 0.617 . . . . 15.0 111.286 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.98 1.23 18.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.695 -0.684 . . . . 15.0 110.057 172.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.599 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 41.8 ttm180 -71.4 -51.2 25.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.445 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.7 p -115.78 0.33 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 15.0 112.225 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.2 mp 64.78 32.08 11.31 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.511 0.672 . . . . 15.0 109.621 -175.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -114.84 145.66 41.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.802 -1.09 . . . . 15.0 111.078 -171.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.4 p -105.2 93.38 4.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.896 -0.779 . . . . 15.0 108.896 169.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.1 t -95.15 141.91 28.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.95 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 446' ' ' TYR . 83.5 m-85 -91.26 8.35 36.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 15.0 110.424 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -102.18 135.73 43.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.726 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -71.97 118.85 70.65 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.767 -0.651 . . . . 15.0 110.968 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.93 136.67 53.99 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.02 2.48 . . . . 15.0 112.298 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.39 -20.19 37.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.212 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -82.33 -1.98 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 15.0 110.939 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 47.6 tp -77.41 104.14 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 15.0 110.012 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.668 -0.682 . . . . 15.0 110.48 -179.477 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.734 0.302 . . . . 15.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.4 t -96.53 114.95 34.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.028 0.442 . . . . 15.0 110.01 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.3 m -90.07 38.32 0.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.809 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 435' ' ' TRP . 10.8 pt-20 -64.94 -21.51 66.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 15.0 111.463 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.974 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 42.1 m95 -120.16 105.42 10.96 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.887 -0.783 . . . . 15.0 108.887 172.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 4.6 m -97.48 128.06 43.95 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.895 -0.322 . . . . 15.0 110.384 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.82 107.19 18.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.817 0.341 . . . . 15.0 111.214 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -109.94 121.29 44.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.183 -0.673 . . . . 15.0 109.183 174.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 445' ' ' THR . 14.4 pttm -120.34 119.68 33.82 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.274 -174.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 444' ' ' LYS . 6.1 t -89.97 150.26 22.22 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.405 -0.816 . . . . 15.0 109.963 179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.07 -0.71 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.3 0.482 . . . . 15.0 112.3 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.29 -8.5 57.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.384 0.612 . . . . 15.0 110.024 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 37.79 6.65 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.325 -0.71 . . . . 15.0 111.325 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HB2' HG22 ' A' ' 440' ' ' THR . 22.1 mtpp -124.64 118.12 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.536 HG22 ' HB3' ' A' ' 439' ' ' LYS . 1.3 p -98.92 104.62 16.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.688 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 455' ' ' SER . 18.8 p90 -113.06 120.66 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 15.0 110.754 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' A' ' 436' ' ' THR . 49.4 m-85 -90.42 116.28 28.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.029 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.31 125.06 35.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.663 -0.699 . . . . 15.0 109.873 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.689 HD21 HG22 ' A' ' 452' ' ' THR . 36.0 p-10 -117.12 138.74 51.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.324 0.583 . . . . 15.0 111.091 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -76.96 -4.36 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 15.0 109.633 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.667 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 35.3 mtp180 -66.46 -54.2 26.73 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.731 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.689 HG22 HD21 ' A' ' 449' ' ' ASN . 15.3 t -114.11 0.04 14.15 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.786 0.291 . . . . 15.0 111.786 174.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 67.43 36.11 3.98 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.817 0.447 . . . . 15.0 110.784 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.511 ' HB2' HG23 ' A' ' 452' ' ' THR . 52.2 mt-10 -138.14 150.07 46.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 15.0 111.319 -173.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.2 m -102.78 120.11 40.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.821 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' A' ' 458' ' ' GLU . 9.8 t -115.04 145.87 41.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.3 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.412 ' CE2' ' HE3' ' A' ' 444' ' ' LYS . 95.8 m-85 -88.53 0.03 56.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.898 0.38 . . . . 15.0 111.455 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 13.2 pt-20 -100.82 150.01 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.88 110.11 37.41 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.342 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 4.5 Cg_exo -79.49 140.42 15.1 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.896 2.398 . . . . 15.0 111.873 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -79.74 7.01 9.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 15.0 112.217 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.974 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 16.9 mm-40 -84.27 -9.21 58.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.945 0.402 . . . . 15.0 110.87 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 435' ' ' TRP . 5.4 tt -70.39 114.55 8.63 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.656 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.358 -0.829 . . . . 15.0 110.029 -177.456 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.995 -0.372 . . . . 15.0 109.995 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.47 117.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.631 -177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.1 m -119.95 119.71 34.24 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.719 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -27.87 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.633 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.673 ' HB2' HD13 ' A' ' 463' ' ' LEU . 25.9 m95 -129.53 108.9 10.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 46.0 p -90.5 132.2 35.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.874 0.369 . . . . 15.0 110.395 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -93.99 108.34 20.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.074 0.464 . . . . 15.0 110.474 -175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -126.32 119.44 27.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.73 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 445' ' ' THR . 18.4 pttm -119.36 131.12 55.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.139 0.495 . . . . 15.0 111.531 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.2 t -100.19 149.06 23.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.724 175.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.68 8.93 0.42 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.447 0.536 . . . . 15.0 112.447 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -81.44 -3.37 52.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.571 . . . . 15.0 109.64 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.11 27.73 20.07 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.865 -0.683 . . . . 15.0 111.678 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.414 ' HE2' ' CE2' ' A' ' 457' ' ' PHE . 55.8 mtpt -134.81 124.34 24.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.704 0.288 . . . . 15.0 110.917 -175.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.525 HG23 ' HB3' ' A' ' 439' ' ' LYS . 4.5 m -103.45 119.1 38.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.276 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 23.4 p90 -110.31 115.78 30.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.694 0.759 . . . . 15.0 110.633 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 436' ' ' THR . 82.8 m-85 -90.35 112.25 23.76 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.025 -0.988 . . . . 15.0 109.88 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -90.17 120.84 31.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.507 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 36.8 p-10 -111.16 144.11 40.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.884 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.499 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.9 p30 -82.54 -3.68 56.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.23 -0.895 . . . . 15.0 109.522 172.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.441 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 33.3 ttm180 -71.04 -62.81 1.26 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.672 -0.695 . . . . 15.0 110.69 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.451 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 14.0 p -104.54 0.2 28.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.665 0.269 . . . . 15.0 110.912 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 450' ' ' ASN . 96.1 mt 61.07 58.92 2.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.903 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.16 150.07 31.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.213 0.53 . . . . 15.0 111.353 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.9 p -97.55 100.69 12.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 173.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.8 t -94.7 133.31 38.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 110.445 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 445' ' ' THR . 96.0 m-85 -84.55 -1.14 55.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.996 0.427 . . . . 15.0 111.033 -177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -96.45 125.04 40.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.39 117.85 28.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 15.0 111.691 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.44 123.95 13.35 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.764 2.31 . . . . 15.0 111.761 176.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -74.04 -8.51 56.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.084 0.469 . . . . 15.0 111.397 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -103.86 2.4 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.711 0.291 . . . . 15.0 111.282 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 435' ' ' TRP . 53.9 tp -73.7 106.37 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.279 0.561 . . . . 15.0 111.827 -175.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.508 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.884 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 174.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.7 m -82.32 -30.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.902 0.382 . . . . 15.0 111.146 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 42.9 m -95.12 111.51 23.33 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.805 -0.443 . . . . 15.0 109.805 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.93 117.63 28.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.484 0.659 . . . . 15.0 110.892 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.684 ' HD1' ' HG ' ' A' ' 463' ' ' LEU . 24.9 m95 -90.04 111.68 22.87 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.866 -0.79 . . . . 15.0 108.866 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 6.9 m -89.94 123.45 33.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.846 0.355 . . . . 15.0 111.004 -173.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.527 ' HG2' ' CE2' ' A' ' 447' ' ' TYR . 34.3 mt-10 -89.98 115.59 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 15.0 110.929 -175.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -121.89 121.99 38.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.33 -0.396 . . . . 15.0 110.915 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 445' ' ' THR . 21.5 tptm -95.34 109.28 21.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.41 -0.589 . . . . 15.0 109.41 174.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.1 t -92.58 148.65 21.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.828 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.23 1.18 1.65 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.237 0.541 . . . . 15.0 111.079 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.5 -7.7 49.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.436 171.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.16 26.47 23.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.376 -0.829 . . . . 15.0 112.339 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -145.98 139.09 25.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 15.0 111.591 -174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.569 HG23 ' HD3' ' A' ' 439' ' ' LYS . 3.7 p -92.93 114.66 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.18 173.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -107.77 135.0 49.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.41 0.624 . . . . 15.0 110.209 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 437' ' ' GLU . 5.6 m-85 -99.89 115.19 29.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.24 -0.891 . . . . 15.0 109.999 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -90.03 121.83 32.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.26 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 3.5 p-10 -120.76 137.56 54.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.139 0.495 . . . . 15.0 111.356 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.488 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.5 p-10 -80.83 -3.21 50.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.342 -0.844 . . . . 15.0 110.175 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.93 -57.77 11.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.556 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.493 ' H ' HD22 ' A' ' 449' ' ' ASN . 17.1 p -114.89 0.18 13.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.061 -0.518 . . . . 15.0 111.683 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 450' ' ' ASN . 93.9 mt 61.96 55.78 2.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.464 0.65 . . . . 15.0 110.629 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -138.78 150.15 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.2 -0.909 . . . . 15.0 110.278 -176.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.6 m -98.93 106.51 18.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 171.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 10.8 t -99.73 150.11 22.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.76 -176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -100.33 5.01 44.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.02 0.438 . . . . 15.0 110.888 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 140.55 33.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.679 -0.489 . . . . 15.0 109.679 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.85 108.28 8.73 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.627 -0.26 . . . . 15.0 110.642 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 24.1 Cg_exo -64.68 137.3 53.6 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.933 2.422 . . . . 15.0 112.959 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -91.62 -9.52 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.623 0.725 . . . . 15.0 109.764 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -86.55 4.3 40.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 15.0 110.737 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.684 ' HG ' ' HD1' ' A' ' 435' ' ' TRP . 1.5 tt -85.58 114.31 22.49 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.4 tptp . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.106 -0.949 . . . . 15.0 110.448 -178.44 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.999 0.428 . . . . 15.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 25.1 m -88.74 162.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.222 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.3 m -95.48 10.87 34.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.02 0.438 . . . . 15.0 110.826 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 -16.24 61.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.701 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.431 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 41.2 m95 -124.05 112.3 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.695 -0.684 . . . . 15.0 109.199 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 1.7 m -90.18 136.97 32.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.392 . . . . 15.0 111.459 -173.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -90.0 106.87 18.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.768 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -126.57 115.82 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 15.0 110.642 175.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -109.84 127.31 54.6 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.55 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -96.13 144.03 26.73 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 110.098 -0.334 . . . . 15.0 110.098 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.45 -5.56 5.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.585 -0.734 . . . . 15.0 111.551 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.92 -9.71 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.242 0.544 . . . . 15.0 110.469 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 36.52 7.09 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.936 -0.575 . . . . 15.0 112.297 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.01 138.72 20.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.066 0.46 . . . . 15.0 110.861 176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 5.9 m -98.41 136.37 38.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.666 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB2' ' OG ' ' A' ' 455' ' ' SER . 23.1 p90 -127.38 120.88 29.48 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 121.768 0.794 . . . . 15.0 110.071 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.5 m-85 -93.3 111.12 22.68 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.182 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -93.63 124.6 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.271 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -121.1 139.47 53.29 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.059 0.457 . . . . 15.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.475 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.2 p-10 -83.63 2.05 39.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.095 -0.957 . . . . 15.0 110.121 177.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -59.81 -62.53 1.8 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.309 0.576 . . . . 15.0 109.954 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 454' ' ' GLU . 9.0 t -111.02 0.53 16.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.392 -0.822 . . . . 15.0 111.235 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 450' ' ' ASN . 89.9 mt 68.93 35.38 2.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.353 0.597 . . . . 15.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.532 ' HB2' HG23 ' A' ' 452' ' ' THR . 43.7 mt-10 -126.99 149.93 49.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.618 -0.719 . . . . 15.0 110.318 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 446' ' ' TYR . 27.9 t -105.36 117.67 34.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.903 178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.2 t -104.25 133.77 48.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.663 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.62 -0.4 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.283 0.563 . . . . 15.0 109.956 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -110.17 140.31 44.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.333 -0.849 . . . . 15.0 109.706 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -74.96 120.83 83.53 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.435 -0.348 . . . . 15.0 110.853 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.57 147.12 35.47 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.879 2.386 . . . . 15.0 112.231 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -70.42 -10.66 59.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 15.0 112.508 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.431 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 12.0 mp0 -80.32 -11.29 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.037 -0.265 . . . . 15.0 111.232 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.6 114.5 28.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.915 0.388 . . . . 15.0 110.81 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.61 -0.71 . . . . 15.0 110.155 177.31 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.824 -0.436 . . . . 15.0 109.824 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.11 2.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.732 0.301 . . . . 15.0 111.562 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.5 m -89.21 118.49 28.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 15.0 111.665 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.42 ' OE2' ' HB2' ' A' ' 449' ' ' ASN . 14.9 tt0 -92.39 -13.46 30.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.541 0.686 . . . . 15.0 109.822 175.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 460' ' ' PRO . 23.4 m95 -89.67 108.25 19.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.502 -0.772 . . . . 15.0 110.082 -173.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.9 p -101.64 114.04 27.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.492 -0.322 . . . . 15.0 110.53 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 9.3 pt-20 -89.94 122.04 32.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.392 0.615 . . . . 15.0 110.952 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -106.22 120.4 41.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.443 -0.799 . . . . 15.0 109.368 173.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 445' ' ' THR . 0.2 OUTLIER -94.2 114.95 27.16 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.454 -0.793 . . . . 15.0 110.548 -174.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -92.82 143.93 25.78 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -13.92 25.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.984 -0.553 . . . . 15.0 111.527 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.66 -13.59 61.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.694 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.17 37.66 6.63 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.862 -0.608 . . . . 15.0 111.904 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 440' ' ' THR . 29.0 mtmm -132.87 141.43 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 439' ' ' LYS . 0.2 OUTLIER -122.74 113.68 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.084 -0.339 . . . . 15.0 110.084 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HD2' ' HB3' ' A' ' 455' ' ' SER . 51.4 p90 -105.75 126.02 51.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 15.0 110.433 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 52.8 m-85 -90.41 112.4 23.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.178 -0.919 . . . . 15.0 110.031 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -89.98 117.7 28.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.993 -0.548 . . . . 15.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' A' ' 451' ' ' ARG . 5.3 p-10 -135.17 141.71 45.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.375 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -89.99 -3.81 57.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 15.0 111.052 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.695 ' HB3' HD22 ' A' ' 449' ' ' ASN . 66.8 ttt180 -59.92 -54.56 44.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.3 173.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.494 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 5.1 p -108.12 -0.02 21.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.632 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.47 27.14 13.5 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.777 0.431 . . . . 15.0 111.176 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 10.4 pt-20 -127.26 150.1 49.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.921 0.391 . . . . 15.0 110.955 -173.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 20.4 m -96.64 100.43 11.99 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 169.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 3.0 t -90.1 126.15 35.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 15.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -80.69 -6.88 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.522 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -99.01 131.5 45.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.352 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -70.16 117.14 51.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 O-C-N 123.236 0.335 . . . . 15.0 111.672 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HG2' ' CE3' ' A' ' 435' ' ' TRP . 24.1 Cg_exo -65.33 139.24 58.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.851 2.368 . . . . 15.0 112.102 175.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.12 -12.14 61.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.348 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -67.63 -13.84 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.457 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 29.5 tp -111.8 5.0 18.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.237 0.542 . . . . 15.0 110.257 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 60.7 tttm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.579 -0.724 . . . . 15.0 110.365 -178.178 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.429 ' O ' ' HE2' ' A' ' 464' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.244 0.545 . . . . 15.0 110.118 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.42 127.85 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.645 -0.707 . . . . 15.0 110.288 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 462' ' ' GLU . 14.6 m -120.0 105.37 10.97 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.154 -0.684 . . . . 15.0 109.154 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -97.38 130.11 44.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.911 -0.586 . . . . 15.0 112.241 -171.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD12 ' A' ' 463' ' ' LEU . 46.2 m95 -140.88 115.38 9.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.367 -0.833 . . . . 15.0 108.831 176.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 m -90.02 116.1 27.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.921 0.391 . . . . 15.0 110.761 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 8.5 pt-20 -89.8 126.36 35.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.261 0.553 . . . . 15.0 111.177 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.87 109.53 19.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 15.0 109.3 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 445' ' ' THR . 5.8 ptpp? -90.22 107.69 19.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.378 0.609 . . . . 15.0 110.063 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 t -93.98 142.87 26.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.943 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.32 3.73 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.42 -4.29 14.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.97 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.97 15.9 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 115.54 -0.754 . . . . 15.0 112.799 173.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.727 ' HD2' ' CE2' ' A' ' 457' ' ' PHE . 14.0 pttp -150.31 136.93 19.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.349 0.595 . . . . 15.0 112.451 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.581 HG22 ' HB3' ' A' ' 439' ' ' LYS . 20.2 p -98.95 110.57 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.322 -0.853 . . . . 15.0 109.955 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -109.98 129.96 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.405 0.622 . . . . 15.0 110.753 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.628 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 10.9 m-85 -95.8 117.27 30.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.142 -0.935 . . . . 15.0 109.972 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -99.23 127.81 45.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.908 -0.587 . . . . 15.0 109.599 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 451' ' ' ARG . 29.6 p-10 -122.64 143.64 49.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.32 0.581 . . . . 15.0 111.133 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.57 2.57 32.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.281 -0.872 . . . . 15.0 110.32 173.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.567 ' HB2' HD22 ' A' ' 449' ' ' ASN . 85.5 mtt180 -74.53 -45.36 46.21 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.463 -0.335 . . . . 15.0 111.143 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.2 p -116.56 0.23 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.527 0.566 . . . . 15.0 112.527 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.5 mp 56.79 48.64 15.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.307 0.575 . . . . 15.0 110.153 -176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -144.78 150.03 36.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.822 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.0 p -99.44 109.28 21.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.694 -0.684 . . . . 15.0 109.723 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.6 t -99.89 139.65 35.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.012 0.434 . . . . 15.0 110.128 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . 0.727 ' CE2' ' HD2' ' A' ' 444' ' ' LYS . 94.1 m-85 -93.46 1.04 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.25 0.548 . . . . 15.0 110.228 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -92.8 132.75 36.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.72 -0.673 . . . . 15.0 109.215 174.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -77.45 110.29 12.1 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.655 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.25 126.0 17.6 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.005 2.47 . . . . 15.0 112.512 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -85.2 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.539 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 464' ' ' LYS . 9.9 pt-20 -97.2 -0.36 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.696 -177.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 435' ' ' TRP . 6.3 tt -60.81 120.02 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 123.245 0.34 . . . . 15.0 110.178 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 462' ' ' GLU . 24.3 pttm . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.505 -0.759 . . . . 15.0 110.016 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.4 t -78.37 -50.52 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 15.0 110.479 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.2 m -79.24 122.43 26.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.629 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -93.51 126.47 38.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 15.0 110.304 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 22.0 m95 -111.8 117.69 33.51 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.3 m -89.69 108.61 19.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.146 0.498 . . . . 15.0 110.828 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.0 pt-20 -92.72 126.73 37.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.559 -0.746 . . . . 15.0 111.499 -176.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 446' ' ' TYR . 85.2 m-85 -123.08 130.28 52.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.441 -0.577 . . . . 15.0 109.441 173.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.628 ' HB3' HG22 ' A' ' 445' ' ' THR . 20.2 pttp -102.34 117.2 34.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.354 0.597 . . . . 15.0 110.936 178.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.4 t -89.7 150.07 22.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.568 -0.742 . . . . 15.0 110.447 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.99 -9.58 3.24 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.838 0.711 . . . . 15.0 111.758 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.24 -10.32 58.55 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.443 0.639 . . . . 15.0 110.013 174.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 34.75 7.9 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.942 -0.647 . . . . 15.0 111.732 175.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -143.94 135.06 25.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.922 0.391 . . . . 15.0 111.515 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.628 HG22 ' HB3' ' A' ' 439' ' ' LYS . 4.7 p -98.17 119.52 36.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.977 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 438' ' ' TYR . 46.6 p90 -111.38 124.53 52.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 15.0 110.454 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 14.8 m-85 -95.31 116.92 29.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.254 -0.884 . . . . 15.0 109.576 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -89.75 119.7 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.428 -0.582 . . . . 15.0 109.428 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.51 ' HB3' ' CE3' ' A' ' 435' ' ' TRP . 31.9 p-10 -114.01 136.26 53.1 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 15.0 110.958 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -74.01 -8.17 55.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.894 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.461 ' HB3' ' ND2' ' A' ' 449' ' ' ASN . 39.1 ttm180 -71.23 -46.88 60.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.878 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 4.0 m -111.58 -2.86 15.3 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.689 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 6.6 mp 59.03 31.5 21.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.189 0.519 . . . . 15.0 109.745 -175.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -132.86 150.24 52.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.635 -0.711 . . . . 15.0 111.058 -168.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.6 m -93.99 100.4 12.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.175 -0.676 . . . . 15.0 109.175 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.3 t -94.98 144.09 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 15.0 111.055 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -98.97 2.87 46.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.661 0.744 . . . . 15.0 109.822 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -95.88 121.52 37.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.103 -0.953 . . . . 15.0 110.011 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 9.3 mtpm? -64.16 120.38 63.91 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 15.0 110.655 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.44 ' HG3' ' CE3' ' A' ' 435' ' ' TRP . 60.0 Cg_endo -80.02 139.74 13.77 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.695 2.264 . . . . 15.0 111.982 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -71.38 -11.75 61.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 15.0 111.226 -177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.458 ' HG2' HH22 ' A' ' 451' ' ' ARG . 58.1 mp0 -67.81 -25.78 65.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.12 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 464' ' ' LYS . 23.1 tp -116.13 10.34 14.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.468 -0.333 . . . . 15.0 110.678 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 463' ' ' LEU . 65.8 tttm . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.062 0.458 . . . . 15.0 110.084 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.6 m -83.53 2.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 15.0 111.058 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.0 m -95.85 124.74 40.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.932 -0.576 . . . . 15.0 109.759 176.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.46 141.11 54.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.293 0.568 . . . . 15.0 110.921 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.495 ' HD1' ' HB2' ' A' ' 463' ' ' LEU . 22.0 m95 -105.07 95.57 5.93 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 173.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.94 121.31 31.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.668 -171.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 123.0 33.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.177 0.513 . . . . 15.0 111.261 -175.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.73 121.96 36.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.371 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 445' ' ' THR . 13.7 ptmm? -108.27 117.3 33.78 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.593 0.711 . . . . 15.0 110.854 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 444' ' ' LYS . 5.1 t -89.92 149.5 22.58 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.13 -0.941 . . . . 15.0 110.411 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -7.26 6.02 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.636 -0.711 . . . . 15.0 111.393 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.79 -13.98 62.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 15.0 110.143 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 34.82 7.73 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.702 -0.681 . . . . 15.0 112.029 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -132.07 129.45 39.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.282 . . . . 15.0 110.855 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 439' ' ' LYS . 1.7 m -101.75 105.59 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.26 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.4 p90 -106.49 123.27 47.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.394 0.616 . . . . 15.0 110.756 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.18 117.14 28.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.281 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -89.89 117.51 28.77 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.84 -0.43 . . . . 15.0 109.84 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.679 HD22 ' HB2' ' A' ' 451' ' ' ARG . 5.3 p-10 -123.7 130.85 53.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.22 0.533 . . . . 15.0 110.736 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.25 -8.71 57.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.919 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.679 ' HB2' HD22 ' A' ' 449' ' ' ASN . 41.5 mtp180 -60.13 -45.18 93.88 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.038 0.447 . . . . 15.0 110.881 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -6.04 15.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.35 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 453' ' ' LEU . 3.6 mm? 58.2 29.29 17.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.468 0.651 . . . . 15.0 109.38 -169.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -130.66 150.22 51.95 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.376 -0.829 . . . . 15.0 110.38 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.6 p -95.35 113.6 25.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.504 176.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.7 t -97.84 130.16 44.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 15.0 110.551 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -86.13 6.44 29.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 15.0 110.327 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.28 125.21 50.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.333 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.63 116.52 18.58 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-O 120.972 0.415 . . . . 15.0 111.457 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -89.33 135.71 2.68 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.283 2.656 . . . . 15.0 112.056 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.54 3.45 40.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.435 -0.348 . . . . 15.0 111.675 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 19.6 mm-40 -68.79 -39.51 80.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.796 0.331 . . . . 15.0 110.496 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.495 ' HB2' ' HD1' ' A' ' 435' ' ' TRP . 24.9 tp -78.59 101.51 7.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? . . . . . 0 C--O 1.246 0.921 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.949 -176.11 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.012 0.434 . . . . 15.0 111.324 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.48 113.64 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.497 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.2 m -78.62 119.18 21.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -78.13 -5.05 50.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.384 -0.371 . . . . 15.0 111.562 -174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.636 ' HB2' HD12 ' A' ' 463' ' ' LEU . 8.2 m95 -117.78 110.38 17.74 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.276 -0.639 . . . . 15.0 109.276 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.9 m -99.31 121.94 41.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.79 0.329 . . . . 15.0 110.567 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 447' ' ' TYR . 84.9 tt0 -91.95 122.0 34.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.665 -173.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -118.51 126.63 52.44 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.515 -0.55 . . . . 15.0 109.515 172.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -99.83 122.01 42.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 15.0 110.734 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 444' ' ' LYS . 9.9 t -90.59 150.07 21.87 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.71 -0.478 . . . . 15.0 109.71 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.2 -0.33 3.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.829 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.52 -5.46 56.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.316 0.579 . . . . 15.0 109.762 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.99 10.36 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.749 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' O ' HG22 ' A' ' 440' ' ' THR . 51.0 mtpt -133.63 130.75 38.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.62 0.248 . . . . 15.0 110.602 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 p -104.3 118.56 36.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.464 -0.335 . . . . 15.0 110.299 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.624 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 36.5 p90 -111.32 123.57 50.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 15.0 110.469 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 455' ' ' SER . 13.9 m-85 -92.75 114.15 26.62 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 15.0 110.359 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.53 126.78 35.73 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -136.45 146.96 46.94 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.147 -0.478 . . . . 15.0 110.723 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -86.15 2.46 46.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.149 -0.932 . . . . 15.0 111.423 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -82.72 -43.36 16.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.855 0.36 . . . . 15.0 110.274 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 454' ' ' GLU . 21.4 p -109.46 0.1 19.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.402 173.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.4 mp 59.62 33.16 21.93 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.016 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.412 ' HG2' ' OG1' ' A' ' 452' ' ' THR . 13.1 pt-20 -149.96 150.37 31.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.079 -173.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.624 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 13.2 p -91.03 116.38 28.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.242 -0.436 . . . . 15.0 110.824 176.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.4 t -96.49 150.0 21.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.447 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -91.36 -2.69 57.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.757 0.313 . . . . 15.0 111.426 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 32.9 mt-10 -86.57 149.08 25.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.513 176.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -92.14 107.15 20.99 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.429 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 29.7 Cg_exo -62.19 139.18 76.61 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.378 2.718 . . . . 15.0 113.274 -177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -94.37 -13.0 26.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.665 -0.698 . . . . 15.0 110.559 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -86.35 2.72 46.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 15.0 110.394 176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 435' ' ' TRP . 6.4 tt -77.7 -24.23 49.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.687 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.54 -0.743 . . . . 15.0 111.061 -170.724 . . . . . . . . 0 0 . 1 stop_ save_