data_5knw_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 5knw _Structure_validation_residue.Date_analyzed 2016-10-15 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 full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 140.99 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -73.32 121.51 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.715 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -61.95 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' A' ' 442' ' ' HIS . 0.1 OUTLIER -166.2 148.32 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' A' ' 441' ' ' HIS . 32.5 p-80 -54.28 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -75.22 105.49 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.1 p -155.64 53.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 38.82 80.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -106.44 -172.72 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 18.9 p -116.61 -158.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -116.2 -116.5 2.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.403 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.46 134.89 21.32 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.47 62.25 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.77 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.564 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 49.4 p90 -82.29 104.15 12.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 451' ' ' PHE . 0.3 OUTLIER -37.53 99.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.472 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.581 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.6 OUTLIER -72.17 18.53 0.08 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.94 31.49 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.456 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 453' ' ' SER . 1.0 OUTLIER 38.43 100.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.905 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.522 HD12 ' CE2' ' A' ' 533' ' ' TRP . 5.4 mm -81.67 125.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.726 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.586 HG21 ' CE2' ' A' ' 497' ' ' PHE . 54.0 t -113.12 107.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.847 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -83.5 118.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 0.0 111.379 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.42 HG12 HD12 ' A' ' 521' ' ' LEU . 1.1 mt -113.53 124.4 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.593 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 9.7 tp -131.51 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.442 . . . . 0.0 110.786 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.616 ' HB2' ' CD1' ' A' ' 519' ' ' TRP . 31.3 t -124.78 -164.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.505 ' N ' ' OG ' ' A' ' 461' ' ' SER . 69.6 p -126.45 -6.03 6.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.621 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.505 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 0.6 OUTLIER 166.93 -52.94 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.002 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 71.0 Cg_exo -37.77 -33.39 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.002 2.468 . . . . 0.0 112.7 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.46 97.13 0.12 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.647 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.534 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 41.2 Cg_endo -67.12 -39.56 13.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.086 2.524 . . . . 0.0 113.15 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.89 179.6 28.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.269 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 5.8 ptm180 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.896 0.379 . . . . 0.0 110.784 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 7.7 ptpp? -62.0 -43.49 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.534 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 2.9 mt-30 -78.52 -44.25 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.521 HG12 ' CD2' ' A' ' 475' ' ' LEU . 74.4 t -62.1 -43.92 98.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.002 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 6.8 ptm180 -63.07 -44.66 95.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.218 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 6.1 t0 -61.53 -37.7 84.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.94 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.544 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.0 OUTLIER -62.28 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.306 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.521 ' CD2' HG12 ' A' ' 471' ' ' VAL . 0.9 OUTLIER -41.48 -40.9 1.93 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.043 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.1 -26.22 64.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.187 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.67 -30.09 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 478' ' ' ILE . 4.3 mt -82.15 -31.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.9 m -168.1 119.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.568 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 127.14 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.109 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.569 HG13 ' CZ ' ' A' ' 497' ' ' PHE . 15.3 m -114.93 164.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.93 -69.05 0.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.721 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -145.31 141.74 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.129 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.503 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 7.3 p -112.45 117.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -101.84 88.83 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.534 ' CD1' ' HB3' ' A' ' 493' ' ' CYS . 0.6 OUTLIER -93.27 130.38 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 492' ' ' GLU . 2.4 mm? -65.41 85.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 110.598 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.6 OUTLIER -35.82 128.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 74.7 12.97 82.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.568 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 487' ' ' LEU . 6.0 t0 -128.33 167.86 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.327 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 12.3 p -100.73 12.6 37.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.494 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.517 ' HG2' ' CD1' ' A' ' 460' ' ' ILE . 5.9 mt-10 -123.83 115.3 21.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.314 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.534 ' HB3' ' CD1' ' A' ' 486' ' ' LEU . 0.8 OUTLIER -122.39 143.41 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 5.1 m80 -124.79 102.55 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.802 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -87.47 133.14 33.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.076 0.465 . . . . 0.0 111.818 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -96.56 135.66 38.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.586 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.6 m-85 -112.57 157.12 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -83.94 -19.58 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.75 151.11 76.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.958 0.409 . . . . 0.0 111.069 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.463 ' HA ' HG13 ' A' ' 455' ' ' VAL . 65.4 Cg_endo -74.0 -38.23 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.818 2.345 . . . . 0.0 112.499 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.51 ' HG3' ' N ' ' A' ' 502' ' ' ASP . 3.3 pt-20 -60.99 -34.91 75.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.51 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 8.6 t70 -63.36 -40.82 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.8 -42.96 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.98 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 507' ' ' ILE . 25.7 tt0 -62.38 -43.32 99.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.676 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.35 93.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 502' ' ' ASP . 58.2 t -68.33 -43.59 84.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 111.65 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.529 ' HA ' ' CD2' ' A' ' 521' ' ' LEU . 2.6 pp -65.99 -35.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.268 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 507' ' ' ILE . 42.4 m-80 -69.71 -40.22 76.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 0.0 110.141 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.22 -21.18 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.926 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.569 ' CG ' HD23 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -62.95 -20.78 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 50.3 p -49.53 -37.22 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 515' ' ' LYS . 67.8 mm-40 -64.93 -31.6 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.073 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 519' ' ' TRP . 29.9 mm -42.19 -42.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.88 -25.85 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.265 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 516' ' ' LYS . 0.1 OUTLIER -53.44 -27.6 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.023 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.515 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -116.08 -42.46 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.014 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 1.7 m-70 -155.21 128.82 8.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.93 118.67 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.616 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.2 OUTLIER -138.11 142.65 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.276 0.56 . . . . 0.0 111.534 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.593 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 4.2 mmtt -109.52 136.52 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.962 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.569 HD23 ' CG ' ' A' ' 510' ' ' TYR . 7.2 tp -131.72 125.82 32.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -139.78 133.31 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.411 HG13 HG22 ' A' ' 507' ' ' ILE . 70.9 mt -92.19 119.59 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.484 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 3.8 mm? -64.69 139.07 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 90.2 p -146.05 162.33 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 111.397 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.11 -149.35 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.907 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.481 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 3.5 m-20 -51.62 -30.17 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.139 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 524' ' ' LEU . 0.1 OUTLIER -64.31 -46.68 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.969 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.484 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 16.6 tt0 -67.86 -45.45 74.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.5 pp0? -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.741 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -58.1 -53.57 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.474 ' CZ ' ' HE3' ' A' ' 535' ' ' LYS . 26.1 t80 -56.91 -43.38 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.576 ' NE1' ' O ' ' A' ' 453' ' ' SER . 33.6 m95 -61.94 -41.7 98.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.366 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 1.5 mt-30 -50.05 -42.45 49.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -63.08 -40.14 96.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.895 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.566 HD11 ' CZ3' ' A' ' 533' ' ' TRP . 58.9 mt -61.92 -56.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.33 -48.14 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 96.8 t -56.23 -39.11 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.548 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.1 -36.57 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.399 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -42.1 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.571 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -43.64 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.329 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.27 -29.03 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 545' ' ' ASN . 0.0 OUTLIER -58.15 -16.1 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 -179.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 543' ' ' LYS . 0.5 OUTLIER -35.64 -33.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.643 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 543' ' ' LYS . 1.1 m-80 -82.66 105.87 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.412 ' OE1' ' HD2' ' A' ' 547' ' ' PRO . 42.6 mm-40 -111.05 141.5 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 111.048 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.412 ' HD2' ' OE1' ' A' ' 546' ' ' GLN . 30.1 Cg_endo -63.39 -161.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.822 2.348 . . . . 0.0 111.901 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.18 178.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.68 120.81 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -143.34 141.23 30.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.998 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 30.5 mttm 67.25 175.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.21 131.24 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.714 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 138.09 -148.74 20.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 172.32 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.245 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 556' ' ' LYS . 2.6 tm-20 -78.87 83.49 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 28.7 mttp -162.8 124.74 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.22 146.28 44.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.419 ' O ' ' OG1' ' A' ' 559' ' ' THR . 0.0 OUTLIER -138.93 78.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.279 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 558' ' ' ILE . 7.5 p 53.25 22.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt 61.94 83.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.938 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -113.33 -70.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -68.68 144.11 54.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.38 14.65 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 157.11 36.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 443' ' ' HIS . 1.2 p-80 -139.88 40.55 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.435 ' CB ' ' O ' ' A' ' 442' ' ' HIS . 1.6 t-160 79.02 -52.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 443' ' ' HIS . 29.6 t 66.03 23.18 11.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -135.55 77.5 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -78.58 153.28 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.38 145.28 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 449' ' ' PRO . . . 121.97 -46.86 1.07 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 448' ' ' GLY . 52.0 Cg_exo -54.25 178.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.439 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.18 64.18 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 52.3 p90 -56.33 118.4 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 452' ' ' VAL . 2.7 p -48.82 98.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.569 ' O ' ' NE1' ' A' ' 533' ' ' TRP . 4.2 p -72.66 18.06 0.1 Allowed 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 31.74 30.99 0.01 OUTLIER Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.46 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 36.04 95.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.953 0.377 . . . . 0.0 111.129 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 28.2 mm -76.7 126.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.254 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.582 HG22 ' CE1' ' A' ' 497' ' ' PHE . 55.4 t -112.81 97.47 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.492 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.462 ' HB2' HD21 ' A' ' 524' ' ' LEU . 17.3 tttt -76.99 120.11 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.054 0.454 . . . . 0.0 111.445 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.58 126.38 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.615 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.582 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.07 137.15 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.695 178.691 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.462 ' HB3' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -125.76 -172.1 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.2 p -133.83 14.77 3.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.529 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 1.7 mm-40 156.28 -49.25 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.204 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 88.1 Cg_exo -42.79 -46.22 8.53 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.088 2.526 . . . . 0.0 112.705 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 491' ' ' THR . 0.1 OUTLIER -37.86 96.49 0.11 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.291 0.567 . . . . 0.0 110.577 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' A' ' 470' ' ' GLN . 7.6 Cg_exo -73.82 -33.95 5.84 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.58 2.854 . . . . 0.0 112.937 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 471' ' ' VAL . . . 158.38 176.07 30.02 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.198 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.2 ptt85 -61.43 -42.56 98.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -62.89 -44.21 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.505 ' HG3' ' HB2' ' A' ' 466' ' ' PRO . 11.5 mm-40 -72.49 -43.37 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.3 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 467' ' ' GLY . 96.8 t -64.75 -43.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.591 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 16.9 ptt180 -63.0 -37.83 88.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.506 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.3 OUTLIER -66.39 -39.64 89.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.656 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -64.67 -52.55 56.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 0.0 110.713 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.489 HD12 ' CG1' ' A' ' 481' ' ' VAL . 2.2 pp -63.97 -40.18 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.981 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -68.78 -25.23 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.52 -29.66 62.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.459 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.487 HG22 ' CG2' ' A' ' 506' ' ' VAL . 1.7 mp -80.6 -32.14 12.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.808 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.501 ' HB3' ' CG2' ' A' ' 506' ' ' VAL . 21.1 t -170.76 166.35 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -73.17 111.52 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.747 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.489 ' CG1' HD12 ' A' ' 475' ' ' LEU . 7.4 m -101.19 155.25 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.524 HD13 ' CG ' ' A' ' 498' ' ' LYS . 3.8 tt -78.95 -73.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 483' ' ' TYR . 2.9 t80 -147.71 141.61 25.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.061 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.0 t -100.0 123.51 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.639 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.445 ' OD2' ' OH ' ' A' ' 532' ' ' TYR . 62.0 t0 -100.74 75.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 493' ' ' CYS . 0.2 OUTLIER -88.95 125.96 35.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.225 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 490' ' ' ASP . 12.5 mt -60.2 97.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.698 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -37.25 113.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.49 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.5 13.01 83.13 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.227 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 487' ' ' LEU . 2.9 t0 -117.83 161.03 20.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 111.224 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 465' ' ' LEU . 74.7 p -92.45 12.45 22.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.17 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.96 120.17 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.501 ' HB3' ' CD2' ' A' ' 486' ' ' LEU . 1.6 p -129.12 144.95 51.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.471 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 3.9 m80 -123.42 104.23 8.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.669 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.72 130.6 35.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.769 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.429 ' NH1' HG21 ' A' ' 536' ' ' ILE . 5.1 mtm180 -95.19 133.32 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.473 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.582 ' CE1' HG22 ' A' ' 457' ' ' VAL . 2.3 m-85 -110.64 156.48 20.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.524 ' CG ' HD13 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -81.27 -19.73 42.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.779 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.466 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -145.95 150.64 43.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.242 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.453 ' HA ' HG13 ' A' ' 455' ' ' VAL . 60.7 Cg_endo -72.48 -39.04 2.97 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.93 2.42 . . . . 0.0 112.55 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.442 ' HG3' ' OD1' ' A' ' 502' ' ' ASP . 14.5 pt-20 -59.24 -39.32 82.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.542 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.442 ' OD1' ' HG3' ' A' ' 501' ' ' GLU . 2.1 m-20 -63.34 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 507' ' ' ILE . . . -66.35 -38.3 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.628 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.4 tt0 -61.46 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.137 0.494 . . . . 0.0 110.567 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.52 91.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.788 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 479' ' ' SER . 42.1 t -69.1 -43.18 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.521 ' CG2' HD21 ' A' ' 521' ' ' LEU . 2.8 pp -65.95 -33.0 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.178 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 504' ' ' GLN . 89.1 m-20 -69.55 -40.08 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.986 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.09 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.727 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.616 ' CD1' ' CD1' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -61.28 -20.24 62.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 55.4 p -47.58 -36.2 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.236 0.541 . . . . 0.0 109.908 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.25 -14.73 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.831 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 519' ' ' TRP . 31.4 mm -59.35 -45.92 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.481 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 514' ' ' ASN . 2.1 t-20 -62.83 -27.04 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.25 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.84 -22.1 58.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -116.55 -55.56 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.583 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.1 m-70 -139.11 125.08 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.8 t -51.39 120.27 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.418 ' HB2' ' CG2' ' A' ' 513' ' ' ILE . 0.1 OUTLIER -147.41 147.47 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.317 0.58 . . . . 0.0 111.572 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.582 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.6 OUTLIER -109.57 131.07 55.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.368 -179.492 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.616 ' CD1' ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -137.94 123.2 19.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.078 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -140.41 140.92 35.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.037 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 507' ' ' ILE . 29.2 mt -92.71 114.27 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.484 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 524' ' ' LEU . 0.1 OUTLIER -55.47 138.01 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.95 162.26 37.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.313 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.28 -135.85 40.05 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.093 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.46 -30.45 71.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 0.0 111.38 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -63.89 -46.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.01 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 2.4 tt0 -67.93 -45.86 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 2.1 pp0? -63.34 -40.34 97.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.472 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.4 OUTLIER -60.63 -57.46 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.374 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 535' ' ' LYS . 39.7 t80 -51.77 -42.8 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.569 ' NE1' ' O ' ' A' ' 453' ' ' SER . 34.7 m95 -61.79 -41.72 98.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.518 ' O ' ' CG2' ' A' ' 538' ' ' VAL . 68.0 mm-40 -50.24 -44.68 53.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -63.26 -37.69 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.677 178.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.556 HD11 ' CZ3' ' A' ' 533' ' ' TRP . 13.3 mt -62.54 -68.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.929 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.82 -50.69 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 534' ' ' GLN . 77.7 t -53.6 -40.19 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.136 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -38.61 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.138 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -63.17 -40.65 98.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.507 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.573 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.84 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -23.35 66.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.342 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.451 ' O ' HD11 ' A' ' 544' ' ' LEU . 0.2 OUTLIER -63.03 -19.89 64.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.239 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -118.38 -77.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.07 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 545' ' ' ASN . 0.0 OUTLIER -35.26 107.23 0.32 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' A' ' 548' ' ' ARG . 56.6 Cg_endo -70.34 105.12 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.783 2.322 . . . . 0.0 112.026 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 60.35 158.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -151.56 170.54 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.41 107.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.795 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.24 -154.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -118.87 -50.03 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 554' ' ' THR . . . 48.38 33.76 12.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.424 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.3 OUTLIER 55.74 117.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.57 94.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.56 -156.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.04 125.87 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pt -130.83 151.74 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 16.5 p -72.12 113.11 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 127.55 32.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.937 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -129.72 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -153.4 -43.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -166.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 147.72 42.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.78 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -104.14 -83.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 443' ' ' HIS . 27.2 t-80 -157.91 52.43 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.7 m -77.14 152.99 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.6 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 446' ' ' ALA . 1.2 p30 -99.85 168.32 9.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 445' ' ' ASN . . . 164.86 78.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -170.01 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 49.78 82.1 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 450' ' ' GLN . 51.4 Cg_exo -52.84 158.18 6.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.295 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 449' ' ' PRO . 5.5 tp60 57.45 118.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 452' ' ' VAL . 0.1 OUTLIER -82.35 49.93 1.52 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.502 ' C ' ' O ' ' A' ' 451' ' ' PHE . 17.4 m 23.8 84.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 O-C-N 123.561 0.538 . . . . 0.0 111.557 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.0 OUTLIER -71.94 18.72 0.08 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.352 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 31.76 30.59 0.01 OUTLIER Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.507 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 34.59 90.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 45.3 mm -72.22 126.93 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.62 ' CG2' ' CE1' ' A' ' 497' ' ' PHE . 53.1 t -112.12 95.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.502 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 51.7 tttt -72.79 116.25 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.402 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.446 ' CG2' ' CE2' ' A' ' 519' ' ' TRP . 36.2 mt -113.21 123.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.817 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.566 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.56 135.74 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.02 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.509 ' OG ' ' CD1' ' A' ' 465' ' ' LEU . 79.8 p -117.8 -166.93 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 111.034 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 21.0 p -113.2 -11.27 13.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.4 OUTLIER 157.36 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 77.8 Cg_exo -48.49 -20.77 2.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.777 2.318 . . . . 0.0 112.874 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' A' ' 471' ' ' VAL . 0.2 OUTLIER -37.77 102.47 0.24 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.672 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.479 ' HB2' ' HG3' ' A' ' 470' ' ' GLN . 20.6 Cg_endo -61.6 -45.31 18.15 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.77 2.313 . . . . 0.0 112.739 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 471' ' ' VAL . . . 153.03 -174.87 31.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.593 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.1 OUTLIER -62.35 -41.52 98.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.67 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 472' ' ' ARG . 1.7 pttp -61.48 -44.74 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.429 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.479 ' HG3' ' HB2' ' A' ' 466' ' ' PRO . 22.7 mm100 -77.69 -43.67 30.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.533 ' CG2' HD23 ' A' ' 465' ' ' LEU . 52.0 t -64.68 -45.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 469' ' ' LYS . 0.4 OUTLIER -64.38 -41.98 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.207 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 25.0 t0 -64.79 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.495 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 477' ' ' ALA . 7.7 p -64.09 -77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.437 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.462 ' N ' ' OH ' ' A' ' 510' ' ' TYR . 1.1 pp -43.68 -41.17 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.631 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.19 -25.92 64.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.001 0.429 . . . . 0.0 110.636 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -70.57 -28.29 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.387 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' A' ' 506' ' ' VAL . 6.8 mm -79.97 -30.06 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.413 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.8 t -168.77 161.5 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.396 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.42 119.81 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.07 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 497' ' ' PHE . 30.7 m -110.94 164.84 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 482' ' ' LEU . 0.2 OUTLIER -80.95 -67.76 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.444 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 3.7 t80 -142.33 139.28 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.508 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 483' ' ' TYR . 1.7 t -109.96 113.3 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.82 130.35 44.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.773 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -131.18 125.31 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.9 mp -61.79 86.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.508 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.0 OUTLIER -34.12 124.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 78.13 6.22 87.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 487' ' ' LEU . 8.2 t0 -120.84 162.42 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 1.3 p -98.06 13.62 30.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.527 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.04 114.77 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 486' ' ' LEU . 5.4 p -124.71 141.6 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.502 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 4.7 m80 -128.36 116.87 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.4 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -100.28 135.68 41.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 111.85 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.476 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -91.74 130.65 37.49 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.352 179.239 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.62 ' CE1' ' CG2' ' A' ' 457' ' ' VAL . 2.4 m-85 -109.01 150.2 28.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.349 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -77.83 -19.31 55.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 455' ' ' VAL . 0.7 OUTLIER -139.86 149.49 59.26 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.043 0.449 . . . . 0.0 111.232 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.516 ' HA ' ' CG1' ' A' ' 455' ' ' VAL . 73.9 Cg_endo -74.79 -38.24 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.931 2.421 . . . . 0.0 112.589 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.85 -37.3 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 506' ' ' VAL . 54.4 m-20 -61.38 -40.52 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.264 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -67.17 -42.87 83.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.431 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' OE1' ' ND2' ' A' ' 508' ' ' ASN . 0.7 OUTLIER -62.43 -44.02 97.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.978 0.418 . . . . 0.0 111.066 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.62 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.991 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 503' ' ' ALA . 7.0 p -68.17 -42.85 85.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.505 HD11 ' N ' ' A' ' 508' ' ' ASN . 2.5 pp -65.83 -32.74 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.514 ' ND2' ' OE1' ' A' ' 504' ' ' GLN . 32.7 m-80 -70.33 -40.28 74.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.302 0.573 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.39 -24.96 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.765 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.462 ' OH ' ' N ' ' A' ' 475' ' ' LEU . 0.2 OUTLIER -62.1 -7.49 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 45.2 p -50.06 -37.24 32.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.301 0.572 . . . . 0.0 109.614 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.74 -41.37 67.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.691 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 517' ' ' HIS . 10.8 mm -40.78 -46.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.109 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.11 -32.27 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.462 ' CE ' ' HD2' ' A' ' 516' ' ' LYS . 0.4 OUTLIER -49.4 -24.64 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 -179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -122.38 -38.36 2.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.3 m-70 -153.36 133.54 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 518' ' ' CYS . 30.2 p -70.84 102.59 2.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.472 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -105.09 148.38 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.207 0.527 . . . . 0.0 111.353 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.566 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.3 OUTLIER -108.85 124.1 50.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.061 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -124.88 123.01 39.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.442 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 523' ' ' ILE . 12.7 tm-20 -140.07 137.58 34.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.431 ' O ' ' OE2' ' A' ' 522' ' ' GLU . 43.8 mt -93.59 119.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.892 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.0 mm? -63.51 139.87 58.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 8.1 t -148.44 162.46 39.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.34 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.98 -148.37 18.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.035 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -30.37 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.55 0.214 . . . . 0.0 111.333 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.45 ' HB3' HD11 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.805 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 5.6 tt0 -67.17 -44.81 78.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.096 0.474 . . . . 0.0 110.33 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -40.19 97.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -57.27 -54.24 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.48 ' CE2' ' HE3' ' A' ' 535' ' ' LYS . 36.6 t80 -55.65 -43.51 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.575 ' CZ3' HD11 ' A' ' 536' ' ' ILE . 37.4 m95 -62.31 -38.67 90.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 21.2 mm-40 -52.89 -44.17 66.71 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.48 ' HE3' ' CE2' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.29 -39.92 94.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.761 179.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.575 HD11 ' CZ3' ' A' ' 533' ' ' TRP . 39.4 mt -63.04 -66.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.65 -58.43 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.043 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 53.5 t -49.41 -39.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 29.7 t0 -64.64 -38.83 92.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.191 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -62.34 -40.16 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.019 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.15 92.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.234 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.66 83.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -20.77 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.38 -35.45 79.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -136.16 116.8 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -115.11 89.54 20.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.801 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 548' ' ' ARG . 14.4 Cg_endo -57.23 106.58 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.344 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 547' ' ' PRO . 8.2 mmt180 36.12 77.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 51.74 -164.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -120.81 25.13 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 552' ' ' ARG . 3.6 mtmt 80.85 112.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 551' ' ' LYS . 10.3 mtm180 -42.56 170.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 555' ' ' GLU . . . -112.57 -94.45 2.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 110.98 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.998 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 553' ' ' GLY . 0.5 OUTLIER -130.49 42.36 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 177.55 4.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.465 ' O ' ' HB ' ' A' ' 558' ' ' ILE . 5.2 mp -116.07 -54.41 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 557' ' ' LEU . 28.6 mm 76.43 67.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.415 ' O ' ' HE2' ' A' ' 560' ' ' LYS . 4.3 m -120.47 -50.24 2.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.37 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' A' ' 559' ' ' THR . 0.0 OUTLIER 174.62 94.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 437' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 443' ' ' HIS . 0.6 OUTLIER -149.35 43.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -105.83 -19.09 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.937 0.399 . . . . 0.0 110.728 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 -6.19 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.041 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 442' ' ' HIS . 1.9 t60 -102.63 34.9 2.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 441' ' ' HIS . 27.2 m170 66.83 87.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 438' ' ' HIS . 0.0 OUTLIER 65.95 -169.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -168.19 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -70.85 147.44 48.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -170.56 68.62 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.56 102.74 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -122.43 -168.45 13.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.617 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.38 143.66 83.32 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.826 2.351 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.7 78.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.94 128.0 36.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.24 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.17 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -72.23 17.29 0.11 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.81 31.61 0.01 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.87 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.589 ' N ' ' O ' ' A' ' 453' ' ' SER . 1.5 t 36.82 96.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.093 0.446 . . . . 0.0 111.357 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.47 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 41.2 mm -76.61 125.59 36.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 497' ' ' PHE . 74.9 t -112.92 109.73 29.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.74 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.477 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 36.2 tttt -86.15 116.23 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.343 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 23.4 mt -112.88 123.63 68.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.583 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.41 136.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.465 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.476 ' HB3' HD12 ' A' ' 465' ' ' LEU . 90.9 p -121.66 -166.72 1.42 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.012 0.434 . . . . 0.0 110.853 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 0.6 OUTLIER -116.48 -11.12 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.253 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.2 OUTLIER 154.93 -45.16 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 79.7 Cg_exo -45.1 -23.18 0.95 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.866 2.377 . . . . 0.0 112.647 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -39.15 109.95 0.57 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.308 . . . . 0.0 110.546 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.529 ' HB2' ' CG ' ' A' ' 470' ' ' GLN . 22.7 Cg_endo -61.84 -44.25 21.8 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.867 2.378 . . . . 0.0 112.812 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 471' ' ' VAL . . . 154.91 -179.28 31.09 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.364 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.27 -41.34 98.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.069 0.461 . . . . 0.0 110.703 179.22 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.19 -42.17 99.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.044 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.529 ' CG ' ' HB2' ' A' ' 466' ' ' PRO . 22.1 mp0 -76.44 -44.13 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.095 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 467' ' ' GLY . 76.6 t -63.94 -44.34 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.211 0.529 . . . . 0.0 110.005 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 16.7 ptt180 -63.83 -44.09 94.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.013 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 28.1 t70 -63.0 -39.01 93.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.688 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 477' ' ' ALA . 8.8 p -62.86 -76.56 0.06 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 471' ' ' VAL . 0.9 OUTLIER -42.67 -42.17 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 472' ' ' ARG . . . -69.95 -26.8 64.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.967 0.413 . . . . 0.0 110.806 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -67.78 -28.43 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.632 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 506' ' ' VAL . 1.4 mp -80.56 -30.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 478' ' ' ILE . 4.3 m 179.93 146.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 122.62 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.8 177.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 483' ' ' TYR . 8.9 tp -88.86 -29.04 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.49 ' CD2' ' C ' ' A' ' 483' ' ' TYR . 2.5 t80 162.54 137.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.39 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.457 ' O ' ' CG1' ' A' ' 484' ' ' VAL . 9.5 p -90.0 119.35 36.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 494' ' ' HIS . 3.1 t0 -101.52 71.02 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.353 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 493' ' ' CYS . 1.7 tt -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.816 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 490' ' ' ASP . 0.3 OUTLIER -63.42 91.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 487' ' ' LEU . 6.8 pt-20 -33.59 124.71 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 72.54 8.71 72.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.936 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 487' ' ' LEU . 7.6 t0 -113.9 165.22 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.69 12.43 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.307 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -125.75 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.529 ' HB2' ' CD1' ' A' ' 486' ' ' LEU . 1.7 t -123.84 143.44 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.806 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.502 ' O ' ' CB ' ' A' ' 485' ' ' ASP . 24.9 m80 -127.34 108.79 11.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.347 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -94.69 132.05 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.22 0.533 . . . . 0.0 112.298 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.65 135.82 33.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.729 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 457' ' ' VAL . 1.7 m-85 -115.97 157.41 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -81.28 -19.37 43.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.42 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -135.8 152.5 76.04 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.257 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.402 ' HA ' HG21 ' A' ' 455' ' ' VAL . 72.9 Cg_endo -76.84 -38.26 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.15 -33.77 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -62.64 -42.89 99.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.463 ' O ' HG11 ' A' ' 506' ' ' VAL . . . -64.96 -42.76 94.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.4 OUTLIER -62.68 -38.68 91.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.7 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 503' ' ' ALA . 4.3 p -68.99 -43.76 81.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.73 0.3 . . . . 0.0 111.71 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.0 OUTLIER -66.19 -34.2 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.45 ' O ' HG22 ' A' ' 511' ' ' THR . 89.6 m-20 -70.19 -40.68 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.242 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.03 53.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.583 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.476 ' O ' HG12 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -60.99 -11.4 8.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 508' ' ' ASN . 0.0 OUTLIER -50.49 -36.98 36.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.246 0.546 . . . . 0.0 109.667 179.335 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -17.89 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.732 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 510' ' ' TYR . 3.0 mm -57.68 -44.75 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.693 0.282 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -50.68 -29.93 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.305 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -45.63 -26.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 517' ' ' HIS . 1.2 tppt? -121.58 -49.02 2.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.712 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 516' ' ' LYS . 0.9 OUTLIER -145.04 132.04 20.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.555 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.26 116.78 7.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.708 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.442 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -119.33 148.55 43.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.355 0.598 . . . . 0.0 111.642 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.583 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.0 OUTLIER -109.39 132.46 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.899 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 521' ' ' LEU . 0.4 OUTLIER -134.47 122.95 23.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.919 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -140.14 136.11 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 507' ' ' ILE . 19.3 mt -95.74 119.4 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.5 mm? -63.23 143.23 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.492 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 17.6 p -147.6 161.98 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 111.726 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 51.68 -149.8 8.17 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.797 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -48.87 -30.99 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.617 0.246 . . . . 0.0 110.921 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -45.57 87.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 3.8 pt-20 -67.19 -44.85 78.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.23 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -63.43 -38.67 92.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.704 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.3 OUTLIER -60.15 -56.45 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.59 ' CE2' ' HE2' ' A' ' 535' ' ' LYS . 19.9 t80 -53.54 -43.7 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.568 ' NE1' ' O ' ' A' ' 453' ' ' SER . 39.0 m95 -62.8 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.452 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 538' ' ' VAL . 30.3 mm-40 -50.56 -45.01 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.59 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 0.1 OUTLIER -62.84 -38.51 91.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.97 179.002 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . . . . . . . . . 11.4 mt -61.84 -56.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.464 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.88 -59.01 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.48 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 534' ' ' GLN . 79.0 t -47.29 -39.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.741 0.305 . . . . 0.0 111.017 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 543' ' ' LYS . 10.7 t0 -64.87 -38.58 91.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.985 0.422 . . . . 0.0 110.061 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -62.25 -40.45 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.183 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.44 98.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.181 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.37 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.373 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 539' ' ' ASP . 31.7 mmtp -45.09 -26.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.858 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.99 -33.04 70.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 546' ' ' GLN . 1.1 m-80 -103.24 164.73 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.581 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' A' ' 545' ' ' ASN . 1.9 tt0 49.86 104.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.897 0.379 . . . . 0.0 110.699 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.28 118.23 5.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.742 2.294 . . . . 0.0 112.539 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.65 107.8 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.15 -179.4 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.7 mttt 62.88 118.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.237 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 39.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.625 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.24 126.51 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 92.54 -17.82 56.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.76 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.92 121.08 39.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 111.174 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -90.87 139.87 30.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -152.58 126.55 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.093 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.54 -179.61 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 53.2 mt 65.11 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.89 166.99 13.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -70.2 -68.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.94 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' MET . . . . . 0.404 ' C ' ' CG ' ' A' ' 438' ' ' HIS . 12.1 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.836 0.351 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 437' ' ' MET . 14.0 m80 -154.81 72.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 174.6 148.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.784 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 44.88 58.56 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -46.49 107.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -37.86 108.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -62.96 -52.2 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 446' ' ' ALA . 0.1 OUTLIER 60.01 161.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.95 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 444' ' ' SER . 34.8 m-20 35.53 -91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 444' ' ' SER . . . 72.41 -158.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 19.5 p -135.41 123.35 22.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 103.88 137.92 9.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.14 170.78 18.22 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.848 2.365 . . . . 0.0 112.405 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -157.94 103.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.593 ' CD1' ' CG ' ' A' ' 533' ' ' TRP . 24.5 p90 -80.97 130.99 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.012 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.58 HG11 ' CZ2' ' A' ' 533' ' ' TRP . 5.8 p -53.02 94.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.405 0.621 . . . . 0.0 110.609 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.454 ' OG ' ' OE1' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -70.39 145.01 51.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.066 -178.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.3 31.71 79.86 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 115.207 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 452' ' ' VAL . 18.8 m -124.29 9.91 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 117.509 0.654 . . . . 0.0 110.756 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.567 HD12 ' CZ2' ' A' ' 533' ' ' TRP . 3.6 mm -90.05 96.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.759 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 457' ' ' VAL . 2.9 p -83.21 113.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.569 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 494' ' ' HIS . 76.3 tttt -78.3 123.72 27.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.981 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.48 121.09 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.06 135.79 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.769 178.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.47 ' HB3' HD13 ' A' ' 465' ' ' LEU . 25.8 p -123.24 -161.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 30.4 p -118.21 -10.58 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.32 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.554 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.5 OUTLIER 155.31 -45.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 99.9 Cg_exo -43.34 -26.67 0.99 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.804 2.336 . . . . 0.0 112.894 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -37.72 96.51 0.11 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 110.449 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.53 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 11.0 Cg_endo -54.84 -42.5 68.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.923 2.415 . . . . 0.0 112.826 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.68 -174.43 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.581 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -41.17 97.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.32 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.34 96.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.758 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.53 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 64.0 mm-40 -76.09 -43.85 41.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.486 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.509 ' HA ' ' OG1' ' A' ' 474' ' ' THR . 75.3 t -65.71 -44.52 93.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 111.035 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.417 ' CB ' HG13 ' A' ' 484' ' ' VAL . 8.4 ptm180 -63.32 -45.21 92.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -33.02 75.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.2 OUTLIER -65.85 -82.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.757 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.423 ' N ' ' OH ' ' A' ' 510' ' ' TYR . 1.1 pp -42.99 -40.99 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.931 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' A' ' 481' ' ' VAL . . . -69.09 -26.03 64.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -72.67 -28.11 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 474' ' ' THR . 2.0 mp -77.76 -32.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.819 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 71.2 m -167.36 168.21 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.014 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.496 HG11 ' CZ ' ' A' ' 497' ' ' PHE . 18.0 m -96.65 153.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -72.97 0.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.464 ' CD2' ' C ' ' A' ' 483' ' ' TYR . 5.2 t80 -143.72 132.19 22.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.379 . . . . 0.0 111.992 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.7 p -95.58 119.69 43.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -97.98 131.68 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.562 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 493' ' ' CYS . 0.1 OUTLIER -125.14 123.87 40.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.224 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 490' ' ' ASP . 12.8 mt -79.23 104.74 10.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.287 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 48.44 33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 65.56 12.75 57.2 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.676 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 487' ' ' LEU . 2.1 t0 -62.41 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.735 0.302 . . . . 0.0 110.797 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 465' ' ' LEU . 60.4 p -99.99 12.57 36.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.01 111.22 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.505 ' HB3' HD11 ' A' ' 486' ' ' LEU . 0.0 OUTLIER -127.12 141.01 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.376 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.516 ' HB3' ' CG2' ' A' ' 456' ' ' ILE . 5.5 m80 -120.07 103.53 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.788 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -83.73 127.96 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 0.0 111.858 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.486 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.4 OUTLIER -89.94 130.16 36.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.425 179.478 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.496 ' CZ ' HG11 ' A' ' 481' ' ' VAL . 2.3 m-85 -109.01 149.51 29.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 111.557 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -18.77 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.409 ' OG1' ' OD2' ' A' ' 502' ' ' ASP . 1.7 p -151.76 151.7 28.86 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.401 ' N ' HG12 ' A' ' 455' ' ' VAL . 57.8 Cg_endo -71.21 -38.22 5.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.829 2.353 . . . . 0.0 112.201 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 502' ' ' ASP . 3.0 pp20? -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.409 ' OD2' ' OG1' ' A' ' 499' ' ' THR . 1.0 OUTLIER -61.81 -39.75 92.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.988 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.521 ' O ' ' CG1' ' A' ' 506' ' ' VAL . . . -60.54 -33.31 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -61.72 -37.2 83.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.006 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.41 88.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.023 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 503' ' ' ALA . 2.6 p -67.93 -43.04 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 504' ' ' GLN . 2.5 pp -65.7 -32.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 0.0 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.449 ' O ' HG23 ' A' ' 511' ' ' THR . 85.7 m-20 -70.3 -40.62 74.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.299 0.571 . . . . 0.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.6 -26.1 54.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.574 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.433 ' OH ' ' HB ' ' A' ' 474' ' ' THR . 0.2 OUTLIER -64.57 -12.07 41.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.447 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 508' ' ' ASN . 40.3 p -50.17 -37.74 36.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.31 0.576 . . . . 0.0 109.834 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.2 -42.52 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.483 HG22 ' HB2' ' A' ' 519' ' ' TRP . 44.6 mm -41.48 -46.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -44.29 -32.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.076 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -22.98 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -114.56 -51.35 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.762 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.6 m-70 -146.97 132.48 18.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.661 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.93 102.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.483 ' HB2' HG22 ' A' ' 513' ' ' ILE . 0.1 OUTLIER -108.21 147.5 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 111.563 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.587 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.3 OUTLIER -109.72 135.86 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.397 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 521' ' ' LEU . 0.6 OUTLIER -134.44 121.77 21.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -139.01 127.55 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.73 119.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 524' ' ' LEU . 2.9 mm? -65.35 141.54 58.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.484 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 1.6 t -144.86 161.59 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.26 -162.15 3.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.497 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 4.6 m-20 -38.85 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 526' ' ' GLY . 0.1 OUTLIER -64.43 -46.11 84.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 5.9 pt-20 -66.77 -45.07 79.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -64.07 -33.04 74.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -62.56 -51.87 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.584 ' CE2' ' HE2' ' A' ' 535' ' ' LYS . 6.9 t80 -59.76 -43.73 94.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.593 ' CG ' ' CD1' ' A' ' 451' ' ' PHE . 47.8 m95 -61.07 -35.06 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.193 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 18.1 mm-40 -59.57 -42.62 92.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.848 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.584 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 5.5 pttp -62.57 -39.02 92.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.133 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.575 HD11 ' CE3' ' A' ' 533' ' ' TRP . 14.8 mt -55.83 -59.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.745 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' A' ' 541' ' ' GLN . 2.0 mp -53.47 -54.69 33.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 534' ' ' GLN . 90.9 t -53.61 -39.08 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.188 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -64.64 -39.29 93.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.683 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -40.31 97.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.392 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 537' ' ' LEU . 5.2 mp0 -62.53 -42.29 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 545' ' ' ASN . . . -61.56 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.35 -35.6 76.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.554 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 544' ' ' LEU . 1.3 tp -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.79 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 542' ' ' ALA . 0.9 OUTLIER 51.89 -92.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 50.6 93.14 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.406 ' C ' ' HG2' ' A' ' 548' ' ' ARG . 58.9 Cg_endo -72.14 84.9 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.64 2.226 . . . . 0.0 112.08 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.406 ' HG2' ' C ' ' A' ' 547' ' ' PRO . 4.6 mmm-85 66.47 147.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.55 160.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 56.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.11 114.33 20.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -92.71 -84.98 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -154.78 136.41 5.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 2.5 p -67.8 -15.83 63.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -171.21 66.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LEU . 1.4 ttmm -93.39 52.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' LYS . 0.5 OUTLIER 37.04 37.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mp 62.29 149.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 94.7 m -126.52 -77.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 67.62 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.745 0.307 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 -80.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 440' ' ' HIS . 41.8 m-70 -77.51 179.67 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 439' ' ' HIS . 6.7 m-70 -167.12 88.75 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.755 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 441' ' ' HIS . 49.3 t-80 -134.46 42.56 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.27 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -64.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.91 112.97 22.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.1 m -49.19 134.97 17.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -112.95 -30.15 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.771 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.63 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 11.6 t -56.48 141.31 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -133.21 88.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.62 71.46 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -130.61 45.04 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.962 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 22.9 p90 -62.9 115.99 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 452' ' ' VAL . 12.5 p -52.96 102.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.279 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.577 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.4 p -72.21 16.92 0.11 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.02 31.51 0.01 OUTLIER Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.815 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 36.48 87.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 117.095 0.448 . . . . 0.0 110.8 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 532' ' ' TYR . 5.8 mm -71.55 90.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.033 0.444 . . . . 0.0 111.645 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 521' ' ' LEU . 78.4 t -76.21 109.85 10.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.459 ' HB2' HD23 ' A' ' 524' ' ' LEU . 65.4 tttt -85.02 123.51 30.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.481 HG12 HD22 ' A' ' 521' ' ' LEU . 58.8 mt -113.33 129.05 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.532 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.556 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.05 135.43 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 111.038 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.522 ' OG ' ' CD1' ' A' ' 465' ' ' LEU . 82.5 p -123.21 -166.44 1.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.544 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 11.2 p -120.07 -8.26 9.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.377 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.5 OUTLIER 155.89 -45.39 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 76.0 Cg_exo -42.63 -24.87 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.895 2.397 . . . . 0.0 112.731 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.522 ' CD1' ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -40.51 107.29 0.46 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.943 0.401 . . . . 0.0 110.575 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.518 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 51.5 Cg_endo -69.44 -44.84 2.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.906 2.404 . . . . 0.0 112.955 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 471' ' ' VAL . . . 158.35 -179.65 33.88 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.625 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.7 OUTLIER -61.93 -42.39 99.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.385 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 10.5 ptpt -62.62 -41.58 99.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.518 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 2.4 mp0 -77.25 -43.3 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.524 HG23 ' CZ2' ' A' ' 519' ' ' TRP . 69.5 t -65.48 -43.77 94.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.067 0.46 . . . . 0.0 110.599 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 9.3 ptm180 -62.63 -44.17 96.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.873 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 477' ' ' ALA . 39.8 m-20 -59.91 -38.72 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.282 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.7 OUTLIER -64.93 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.623 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 481' ' ' VAL . 1.5 pp -42.46 -41.7 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.033 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -69.81 -26.09 64.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.357 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.1 -28.34 62.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.6 -31.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.04 158.71 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -69.82 110.07 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.55 HG12 ' CZ ' ' A' ' 497' ' ' PHE . 32.6 m -106.67 148.43 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 496' ' ' ARG . 7.8 tp -61.26 -76.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 484' ' ' VAL . 4.0 t80 -145.85 141.85 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.425 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.539 ' O ' ' CE1' ' A' ' 483' ' ' TYR . 9.9 p -94.54 112.26 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 50.8 t0 -101.33 85.02 2.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.529 ' CG ' ' HB2' ' A' ' 493' ' ' CYS . 5.6 tt -90.25 126.67 35.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.58 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 490' ' ' ASP . 0.1 OUTLIER -63.46 90.31 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.15 0.5 . . . . 0.0 110.478 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.7 mp0 -33.66 125.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.631 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.57 12.37 80.39 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.93 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.53 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 2.5 t0 -123.66 159.07 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 111.153 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 2.0 p -92.62 12.43 23.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.072 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -121.64 114.9 21.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.066 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.529 ' HB2' ' CG ' ' A' ' 486' ' ' LEU . 8.3 t -117.07 143.51 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.559 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.448 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 24.4 m80 -127.41 101.29 6.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.768 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -87.53 134.19 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.696 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 482' ' ' LEU . 2.2 mtm180 -90.91 122.83 33.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.957 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.566 ' CE2' HG23 ' A' ' 457' ' ' VAL . 3.5 m-85 -99.4 149.94 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.048 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -14.68 57.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.561 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -147.68 152.51 41.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.441 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.408 ' HA ' HG12 ' A' ' 455' ' ' VAL . 74.4 Cg_endo -73.57 -39.64 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.862 2.375 . . . . 0.0 112.039 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.66 -35.15 80.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.14 -42.57 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.524 ' O ' ' CG1' ' A' ' 506' ' ' VAL . . . -66.46 -38.96 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.238 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.6 tp60 -58.73 -41.34 86.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.411 . . . . 0.0 110.993 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.35 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.012 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 503' ' ' ALA . 3.3 p -68.66 -43.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.9 pp -66.08 -34.71 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.592 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -70.31 -40.13 74.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.27 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.638 ' CD1' ' CD1' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -62.3 -13.34 27.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 34.1 p -54.03 -35.98 62.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.455 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 513' ' ' ILE . 3.6 mm-40 -62.06 -39.87 93.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.691 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 519' ' ' TRP . 28.5 mm -38.66 -43.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -49.2 -32.02 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.92 -36.72 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -108.6 -53.82 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 3.0 m-70 -139.29 119.43 13.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.797 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.443 ' SG ' ' CE ' ' A' ' 520' ' ' LYS . 48.3 t -51.72 124.28 12.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -139.57 146.13 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.459 0.647 . . . . 0.0 112.05 -179.252 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.556 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.67 134.03 52.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.026 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.638 ' CD1' ' CD1' ' A' ' 510' ' ' TYR . 0.5 OUTLIER -134.04 117.25 16.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -139.15 142.13 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.008 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.457 HG22 HG11 ' A' ' 455' ' ' VAL . 6.3 mt -96.47 119.38 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 458' ' ' LYS . 4.4 mm? -60.07 141.39 55.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 8.6 t -147.75 162.84 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 56.97 -152.77 23.17 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.347 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 17.1 t70 -52.35 -30.56 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.622 0.248 . . . . 0.0 111.123 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.0 86.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.789 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 12.7 tt0 -67.33 -45.49 76.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.06 0.457 . . . . 0.0 110.43 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 1.3 pp0? -63.38 -36.25 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.505 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -61.52 -51.71 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.534 ' CD1' HG13 ' A' ' 456' ' ' ILE . 27.3 t80 -56.36 -43.17 78.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.506 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.53 ' NE1' HG12 ' A' ' 456' ' ' ILE . 40.1 m95 -61.55 -42.06 98.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 46.5 mm-40 -51.58 -44.26 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.906 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -62.8 -40.17 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.168 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.483 ' N ' ' HG2' ' A' ' 535' ' ' LYS . 55.2 mt -62.39 -65.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.5 -59.29 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.129 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.31 -39.47 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.997 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 6.9 t70 -64.29 -37.79 88.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.64 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -62.08 -41.51 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.98 -42.5 99.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.95 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.369 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -60.56 -17.95 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.592 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.11 -36.2 79.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -151.77 145.72 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 545' ' ' ASN . 0.1 OUTLIER 38.92 91.44 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.95 82.09 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.884 2.389 . . . . 0.0 112.485 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 127.58 35.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.98 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.99 156.59 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.777 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -150.82 36.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.85 164.52 23.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 163.88 142.51 3.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.286 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.78 136.23 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -138.34 144.47 40.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.61 138.5 37.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.258 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.77 40.59 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.1 106.71 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.298 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.99 166.62 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.54 121.17 43.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.944 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 438' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.257 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 437' ' ' MET . 14.6 m80 87.41 141.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.009 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 440' ' ' HIS . 7.5 m-70 -123.2 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 439' ' ' HIS . 79.1 t60 70.12 70.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.074 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 442' ' ' HIS . 2.4 p80 -127.83 -40.07 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 441' ' ' HIS . 3.2 t-80 80.58 130.54 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -86.86 71.54 10.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 445' ' ' ASN . 3.2 m -121.26 -44.35 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 444' ' ' SER . 0.7 OUTLIER 166.29 161.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.417 ' O ' ' OG1' ' A' ' 447' ' ' THR . . . -147.72 40.57 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 446' ' ' ALA . 6.3 m -169.91 144.84 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 145.71 101.1 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.551 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.45 140.18 64.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.219 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -113.16 21.72 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.992 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 24.1 p90 -78.33 131.62 37.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.568 HG11 ' CG2' ' A' ' 455' ' ' VAL . 11.8 p -48.93 98.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.419 0.628 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.94 145.87 51.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.415 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.516 ' N ' ' OE2' ' A' ' 529' ' ' GLU . . . 66.65 31.86 79.76 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.223 -0.899 . . . . 0.0 114.935 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.568 ' CG2' HG11 ' A' ' 452' ' ' VAL . 10.1 m -109.44 -12.77 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 117.101 0.45 . . . . 0.0 110.703 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 496' ' ' ARG . 8.1 mm -79.83 93.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 497' ' ' PHE . 19.7 t -86.9 108.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.844 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.467 ' HB2' HD21 ' A' ' 524' ' ' LEU . 10.9 tttp -74.23 123.88 25.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.165 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 8.4 mt -113.6 128.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.643 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.577 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 6.8 tp -131.56 133.49 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.3 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.52 ' HB3' ' NE1' ' A' ' 519' ' ' TRP . 6.3 p -126.12 -162.88 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.083 0.468 . . . . 0.0 111.209 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 29.9 p -128.19 1.05 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.384 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 2.7 mm-40 160.84 -49.07 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 77.9 Cg_exo -39.8 -34.53 0.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 112.513 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -41.28 99.91 0.21 Allowed Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 121.128 0.49 . . . . 0.0 110.719 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.54 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 73.8 Cg_endo -76.18 -41.6 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.151 2.567 . . . . 0.0 113.145 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 157.96 179.66 33.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.343 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -61.86 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 111.019 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 17.9 ptmt -63.68 -45.42 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.461 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.54 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 20.4 mm-40 -76.08 -43.98 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.372 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.485 ' O ' ' OG1' ' A' ' 474' ' ' THR . 47.6 t -64.3 -41.23 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.285 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 2.7 ptt85 -63.44 -42.68 98.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.351 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.53 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.9 OUTLIER -64.14 -35.37 80.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 471' ' ' VAL . 1.3 p -66.61 -58.02 6.03 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 484' ' ' VAL . 2.9 pp -62.11 -40.12 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 472' ' ' ARG . . . -68.48 -24.71 64.72 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.221 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.2 -29.72 63.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.4 -32.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.1 OUTLIER -161.63 159.74 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -73.01 107.13 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 497' ' ' PHE . 16.2 m -102.23 164.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.01 -70.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 2.5 t80 -145.38 139.62 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.321 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 52.6 t -106.19 115.67 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -100.89 88.03 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.428 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 493' ' ' CYS . 0.2 OUTLIER -88.07 128.66 35.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.566 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 487' ' ' LEU . 7.7 mp -62.18 78.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.983 0.421 . . . . 0.0 110.342 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 486' ' ' LEU . 12.0 tm-20 -32.18 128.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.371 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.98 11.01 81.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.757 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.471 ' OD1' HD21 ' A' ' 487' ' ' LEU . 7.4 t0 -118.03 177.91 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.993 0.425 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.36 4.62 36.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.363 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.5 ' CG ' HD22 ' A' ' 487' ' ' LEU . 16.2 pt-20 -131.12 138.28 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 111.606 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.529 ' HB2' ' CD1' ' A' ' 486' ' ' LEU . 0.6 OUTLIER -131.16 144.68 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.129 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -119.05 98.64 6.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.757 0.313 . . . . 0.0 111.282 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.19 130.93 35.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.488 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -99.42 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 457' ' ' VAL . 1.9 m-85 -110.96 148.41 32.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -18.46 65.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.04 152.91 56.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.256 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.58 -37.97 2.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.797 2.331 . . . . 0.0 112.285 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.12 -38.61 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -42.18 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.474 ' O ' ' CG1' ' A' ' 506' ' ' VAL . . . -66.3 -38.81 88.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.03 92.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.812 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 507' ' ' ILE . 6.2 p -68.47 -41.9 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.8 pt -62.57 -30.97 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.531 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.497 ' N ' HG13 ' A' ' 507' ' ' ILE . 79.1 m-20 -69.38 -39.38 78.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.384 0.612 . . . . 0.0 109.734 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -75.69 -24.19 56.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.203 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.525 ' CD1' ' HB3' ' A' ' 521' ' ' LEU . 0.4 OUTLIER -52.45 -17.57 1.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.159 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 39.6 p -48.49 -35.81 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.376 0.607 . . . . 0.0 109.46 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.95 -21.86 65.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.633 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 510' ' ' TYR . 10.0 mm -62.88 -47.14 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 111.416 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.87 -30.36 61.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 111.357 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -58.35 -32.21 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.524 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -102.87 -52.22 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.0 m-70 -149.99 132.26 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 106.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.52 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 1.0 OUTLIER -127.65 139.49 52.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.211 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.577 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.7 OUTLIER -109.72 131.22 55.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.732 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -138.05 109.65 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.789 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -115.92 139.87 49.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.972 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 507' ' ' ILE . 11.6 mt -91.54 120.15 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.705 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 456' ' ' ILE . 1.0 OUTLIER -63.55 138.69 58.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.284 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.41 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 0.4 OUTLIER -142.55 160.96 39.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.028 0.442 . . . . 0.0 111.489 -179.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.473 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 51.05 -152.55 4.98 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.581 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.9 -30.99 0.29 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.807 0.337 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -65.3 -46.63 79.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.516 ' OE2' ' N ' ' A' ' 454' ' ' GLY . 11.1 pt-20 -67.38 -46.17 74.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 121.007 0.432 . . . . 0.0 110.313 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 1.3 pp0? -63.98 -35.7 81.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.417 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 3.3 ttm180 -58.67 -55.85 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.155 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.44 ' O ' ' HD2' ' A' ' 535' ' ' LYS . 25.9 t80 -61.73 -43.46 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 110.772 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.549 ' CE3' HD11 ' A' ' 536' ' ' ILE . 20.7 m95 -61.01 -40.51 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.355 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 530' ' ' GLN . 42.6 mm-40 -57.37 -43.95 83.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.161 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.67 -36.32 82.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.048 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.549 HD11 ' CE3' ' A' ' 533' ' ' TRP . 54.0 mt -58.02 -61.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 541' ' ' GLN . 4.0 mm? -49.33 -50.41 39.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.8 -39.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -38.35 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -62.79 -41.35 99.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.653 179.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.492 ' CA ' ' OE1' ' A' ' 541' ' ' GLN . 1.1 mm-40 -62.7 -42.06 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.189 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 543' ' ' LYS . . . -60.64 -36.69 79.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.592 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 540' ' ' ARG . 0.3 OUTLIER -37.06 -34.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.647 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 542' ' ' ALA . 65.0 tp -41.28 -36.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -83.16 91.73 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.18 126.16 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.49 -171.11 1.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.825 2.35 . . . . 0.0 112.294 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 549' ' ' GLU . 4.6 mtt-85 -112.87 -166.52 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 548' ' ' ARG . 0.7 OUTLIER 76.71 82.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 551' ' ' LYS . 0.8 OUTLIER -92.2 165.68 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 550' ' ' LYS . 4.4 mttt 40.03 95.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.022 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -29.19 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 153.19 -66.99 0.32 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 70.5 p -118.54 78.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.277 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.9 146.42 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -131.94 120.74 22.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 154.33 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 559' ' ' THR . 1.0 OUTLIER -78.82 -174.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 558' ' ' ILE . 0.0 OUTLIER -36.6 159.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.22 88.83 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.007 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 438' ' ' HIS . 1.2 ptt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.79 0.329 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 437' ' ' MET . 0.2 OUTLIER 169.32 -81.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 68.49 51.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -158.09 46.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.91 -177.29 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.046 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -119.64 116.26 25.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -150.8 -44.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.4 p -117.53 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -106.75 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -124.31 45.22 2.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 448' ' ' GLY . 30.0 p -110.62 49.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 447' ' ' THR . . . 53.86 106.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.45 108.92 2.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.84 2.36 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 36.07 77.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.5 ' CD2' ' C ' ' A' ' 451' ' ' PHE . 0.0 OUTLIER -90.3 52.28 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.993 179.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 451' ' ' PHE . 2.7 p 23.2 82.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.616 0.573 . . . . 0.0 111.743 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.9 OUTLIER -72.61 17.32 0.11 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.37 31.09 0.01 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 121.184 -0.531 . . . . 0.0 113.885 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.3 OUTLIER 32.89 88.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.875 0.338 . . . . 0.0 111.309 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.466 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 26.0 mm -71.59 124.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 497' ' ' PHE . 72.0 t -112.8 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.524 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 27.7 tttt -72.97 115.21 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.985 0.421 . . . . 0.0 111.303 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 33.4 mt -112.23 124.6 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.837 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.583 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.75 133.27 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.359 179.087 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.522 ' OG ' ' CD1' ' A' ' 465' ' ' LEU . 78.4 p -116.11 -172.85 2.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 111.381 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.0 p -110.89 -14.94 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.766 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.7 OUTLIER 156.01 -45.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 93.6 Cg_exo -43.57 -25.83 0.96 Allowed 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.944 2.429 . . . . 0.0 112.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.522 ' CD1' ' OG ' ' A' ' 461' ' ' SER . 0.2 OUTLIER -37.69 107.57 0.4 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.516 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.547 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 27.8 Cg_endo -62.65 -43.21 22.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.844 2.363 . . . . 0.0 112.772 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 471' ' ' VAL . . . 151.93 -174.69 30.92 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.283 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.506 ' CB ' HD11 ' A' ' 486' ' ' LEU . 12.7 ptt85 -62.8 -41.38 99.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 111.027 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 470' ' ' GLN . 1.8 ptpt -61.55 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.504 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.547 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 8.7 mm-40 -78.44 -43.68 26.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.273 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 475' ' ' LEU . 44.0 t -64.03 -44.4 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 0.0 110.334 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 31.4 ptt180 -63.73 -44.03 94.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.75 -38.5 88.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.58 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 477' ' ' ALA . 5.2 p -64.95 -79.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.05 0.452 . . . . 0.0 110.62 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 471' ' ' VAL . 0.6 OUTLIER -43.12 -41.35 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.806 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -69.52 -27.15 64.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 506' ' ' VAL . 3.1 mp -80.84 -31.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 3.4 t -168.5 173.19 7.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.81 112.35 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.431 HG13 ' CZ ' ' A' ' 497' ' ' PHE . 27.1 m -90.76 160.48 2.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 483' ' ' TYR . 13.5 tp -86.48 -30.01 22.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 482' ' ' LEU . 3.8 t80 170.76 126.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.887 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.49 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.4 p -104.27 112.85 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.401 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -98.52 131.6 44.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.53 ' CD2' ' HB3' ' A' ' 493' ' ' CYS . 0.7 OUTLIER -129.67 129.87 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.3 mm? -68.49 83.46 0.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.614 0.245 . . . . 0.0 110.398 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 487' ' ' LEU . 9.4 pt-20 -29.06 122.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.41 80.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.835 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 487' ' ' LEU . 3.7 t70 -113.53 158.17 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.6 p -92.72 13.78 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.327 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.94 116.12 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.53 ' HB3' ' CD2' ' A' ' 486' ' ' LEU . 0.8 OUTLIER -126.91 145.07 50.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.764 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.524 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 26.6 m80 -127.56 107.08 9.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -95.62 121.99 37.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 112.042 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.403 ' HD3' HD11 ' A' ' 536' ' ' ILE . 5.0 mtm-85 -88.56 143.15 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.018 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 457' ' ' VAL . 2.1 m-85 -122.63 154.85 37.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.984 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.42 -19.47 42.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.458 ' OG1' ' OD2' ' A' ' 502' ' ' ASP . 0.4 OUTLIER -135.7 151.75 74.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.49 -34.71 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.846 2.364 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.4 -39.69 94.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.261 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.458 ' OD2' ' OG1' ' A' ' 499' ' ' THR . 85.1 m-20 -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.509 ' HB3' ' CG2' ' A' ' 457' ' ' VAL . . . -67.61 -42.64 82.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.515 ' O ' HG13 ' A' ' 507' ' ' ILE . 6.6 tt0 -62.45 -42.02 99.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 509' ' ' ALA . . . -66.32 -41.04 90.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.672 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 478' ' ' ILE . 40.4 t -68.7 -43.25 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 504' ' ' GLN . 0.7 OUTLIER -66.7 -37.71 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.367 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 504' ' ' GLN . 78.5 m-20 -70.94 -41.53 71.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.682 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 505' ' ' ALA . . . -76.76 -25.82 53.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.951 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.461 ' HB3' HD23 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -61.73 -11.79 13.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 508' ' ' ASN . 50.9 p -52.38 -35.94 52.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 515' ' ' LYS . 10.1 tt0 -56.85 -31.41 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.171 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 517' ' ' HIS . 7.8 mm -47.81 -46.04 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . 0.479 ' ND2' ' SG ' ' A' ' 518' ' ' CYS . 6.3 t-20 -46.9 -31.88 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -48.37 -28.47 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.786 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.559 ' CG ' ' NE2' ' A' ' 517' ' ' HIS . 0.1 OUTLIER -120.15 -40.55 2.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.51 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.559 ' NE2' ' CG ' ' A' ' 516' ' ' LYS . 10.4 m-70 -151.23 132.84 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.534 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.502 ' O ' ' NZ ' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -68.89 103.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.42 ' HB2' ' CG2' ' A' ' 513' ' ' ILE . 0.2 OUTLIER -108.01 146.42 32.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.225 0.536 . . . . 0.0 111.119 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.583 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.37 133.53 52.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.517 -179.346 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 521' ' ' LEU . 0.1 OUTLIER -136.96 121.18 17.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.714 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -139.07 138.42 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.33 115.6 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.3 OUTLIER -57.86 140.95 50.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 t -145.23 161.87 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 49.31 -154.69 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.615 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 5.8 m-20 -42.57 -30.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 0.0 110.83 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -47.53 79.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.519 ' OE2' ' CB ' ' A' ' 453' ' ' SER . 4.3 tt0 -68.37 -45.13 73.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.563 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.96 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.121 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 0.0 OUTLIER -60.58 -54.24 47.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.101 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.493 ' OH ' ' HB2' ' A' ' 494' ' ' HIS . 28.4 t80 -55.3 -44.1 75.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.03 0.443 . . . . 0.0 110.776 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 453' ' ' SER . 31.9 m95 -62.42 -41.08 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 179.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 10.9 mm100 -50.75 -44.48 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.24 96.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.011 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.509 HD12 ' CZ3' ' A' ' 533' ' ' TRP . 58.4 mt -64.29 -66.64 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.086 0.47 . . . . 0.0 110.916 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.2 mt -48.9 -47.1 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.065 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 534' ' ' GLN . 73.8 t -64.16 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.08 -39.45 93.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.792 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.1 76.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -61.68 -20.42 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -31.01 62.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.26 162.32 18.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.258 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 548' ' ' ARG . 3.1 tt0 -169.95 77.99 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.28 73.58 0.08 OUTLIER 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.781 2.32 . . . . 0.0 112.208 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -93.94 76.96 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.729 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.96 62.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 552' ' ' ARG . 0.4 OUTLIER -108.19 24.38 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 45.35 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 550' ' ' LYS . 0.3 OUTLIER -72.08 130.5 41.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.82 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 151.5 -104.79 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.71 -177.55 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -129.77 -163.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -135.61 15.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 166.45 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 559' ' ' THR . 0.0 OUTLIER -125.49 171.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 558' ' ' ILE . 12.6 t 44.75 -172.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.022 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 560' ' ' LYS . 0.0 OUTLIER -81.04 60.78 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.656 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.894 -179.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 437' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.748 0.308 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.54 -52.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.35 178.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -127.35 50.12 2.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.477 ' C ' ' CG ' ' A' ' 442' ' ' HIS . 0.1 OUTLIER -106.52 -159.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 441' ' ' HIS . 7.2 m-70 -157.62 173.62 16.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 445' ' ' ASN . 0.0 OUTLIER -132.43 139.35 47.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 445' ' ' ASN . 9.8 t 50.61 -91.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 444' ' ' SER . 11.3 m-80 82.77 -65.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.78 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 445' ' ' ASN . . . 71.89 119.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 1.3 m -97.64 34.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 155.62 80.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.28 96.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.375 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 450' ' ' GLN . 0.7 OUTLIER 64.14 67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 36.0 p90 -67.12 116.07 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 18.5 m -54.7 104.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.558 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.2 OUTLIER -72.34 18.02 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.425 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 32.43 30.55 0.01 OUTLIER Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.363 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.1 OUTLIER 40.44 103.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.93 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 533' ' ' TRP . 27.9 mm -92.69 126.13 45.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.238 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 497' ' ' PHE . 57.7 t -112.63 119.12 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.13 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -89.19 116.74 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 14.2 mt -112.15 122.12 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.582 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.1 OUTLIER -131.36 133.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.391 179.22 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.53 ' O ' ' CD1' ' A' ' 460' ' ' ILE . 12.6 p -104.07 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.335 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 0.7 OUTLIER -91.32 -13.85 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.985 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 462' ' ' THR . 0.3 OUTLIER 158.81 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 90.3 Cg_endo -83.6 58.33 5.96 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.897 2.398 . . . . 0.0 112.847 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.528 ' CD1' ' HB3' ' A' ' 461' ' ' SER . 1.0 OUTLIER -78.32 124.22 85.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.471 ' HB3' ' HB3' ' A' ' 470' ' ' GLN . 77.7 Cg_exo -46.01 -56.13 3.11 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.591 2.194 . . . . 0.0 112.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 470' ' ' GLN . . . 127.32 141.81 5.43 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.971 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.52 ' CA ' HD12 ' A' ' 486' ' ' LEU . 9.8 ptt85 -29.51 -43.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 4.6 ptmt -63.92 -46.38 85.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 110.773 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 467' ' ' GLY . 51.4 mt-30 -80.02 -43.36 22.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.568 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.51 ' CG2' HD23 ' A' ' 465' ' ' LEU . 87.9 t -57.94 -44.98 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.091 0.472 . . . . 0.0 110.124 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 13.7 ptt180 -64.19 -45.13 89.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.627 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.535 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.4 OUTLIER -62.44 -39.49 93.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.531 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.6 OUTLIER -62.3 -78.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.864 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.462 ' HB3' ' OH ' ' A' ' 510' ' ' TYR . 4.1 pp -40.87 -41.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.339 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.08 -27.33 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.46 -29.35 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.57 -31.91 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.59 155.58 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.18 107.17 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 497' ' ' PHE . 6.8 m -102.47 165.4 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -68.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -151.18 141.5 22.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.479 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 472' ' ' ARG . 13.6 t -102.82 118.0 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.95 87.87 3.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.52 HD12 ' CA ' ' A' ' 468' ' ' ARG . 9.2 tt -94.01 130.6 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.735 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.0 OUTLIER -60.85 99.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.8 tm-20 -35.68 114.31 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.52 13.06 83.04 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.124 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 487' ' ' LEU . 6.5 t0 -116.05 150.8 36.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 0.0 111.417 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 5.6 p -83.87 13.67 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.34 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.434 ' HG3' HD12 ' A' ' 487' ' ' LEU . 20.7 pt-20 -127.12 131.15 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.512 ' HB3' ' CB ' ' A' ' 486' ' ' LEU . 0.5 OUTLIER -129.65 147.4 51.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 12.4 m80 -126.59 100.91 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -88.43 135.56 33.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.192 0.52 . . . . 0.0 111.989 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -98.5 133.58 42.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.049 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.575 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.4 m-85 -112.57 157.46 21.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -19.26 37.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.44 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.429 ' C ' HG22 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -139.1 151.51 67.95 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 0.0 111.458 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.472 ' HA ' HG11 ' A' ' 455' ' ' VAL . 57.3 Cg_endo -71.69 -40.11 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.897 2.398 . . . . 0.0 112.522 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.13 -36.76 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -41.09 98.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.43 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.24 -43.27 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.023 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.0 tt0 -62.9 -38.62 91.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.2 92.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.94 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 507' ' ' ILE . 6.3 p -69.41 -43.59 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 504' ' ' GLN . 0.9 OUTLIER -67.11 -38.1 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.28 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 504' ' ' GLN . 89.3 m-20 -70.14 -40.97 74.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.454 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.3 -22.39 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.501 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.499 ' CD1' ' HG ' ' A' ' 521' ' ' LEU . 0.4 OUTLIER -59.54 -13.16 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.328 -178.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 55.8 p -49.53 -37.18 25.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.279 0.561 . . . . 0.0 109.649 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 515' ' ' LYS . 45.5 tt0 -55.66 -27.35 49.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.394 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 517' ' ' HIS . 6.5 mm -53.46 -46.87 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -43.38 -32.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.996 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 512' ' ' GLU . 7.7 mttm -46.35 -26.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.335 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.595 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.1 OUTLIER -122.06 -42.12 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.474 179.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 1.7 m-70 -148.68 132.94 17.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.723 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.59 90.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.181 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.457 ' HB2' HG23 ' A' ' 513' ' ' ILE . 0.0 OUTLIER -87.8 149.63 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.527 0.68 . . . . 0.0 112.185 -178.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.582 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 5.5 mmtt -109.29 128.51 55.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 520' ' ' LYS . 0.4 OUTLIER -132.65 124.41 28.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 111.529 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -140.5 136.48 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.557 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 2.8 mt -93.53 118.97 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.478 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 15.5 mt -56.38 136.65 53.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.56 161.61 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.113 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 52.53 -143.05 23.65 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.65 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -30.06 53.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.642 0.258 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.22 -46.72 82.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.214 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 10.2 tt0 -67.52 -45.98 74.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.724 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.464 ' O ' ' HG3' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -63.38 -40.1 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.618 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.31 -56.19 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.443 ' O ' ' HD2' ' A' ' 535' ' ' LYS . 35.8 t80 -54.55 -43.92 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.571 ' CE2' HD13 ' A' ' 456' ' ' ILE . 36.5 m95 -62.66 -40.16 96.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.684 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 530' ' ' GLN . 4.9 mt-30 -51.81 -44.04 63.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.98 -39.68 95.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.903 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . . . . . . . . . 13.9 mt -63.12 -66.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -53.84 43.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.123 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.432 ' HA ' ' OE1' ' A' ' 541' ' ' GLN . 51.2 t -53.55 -39.04 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 13.1 t70 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -62.39 -40.91 98.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 538' ' ' VAL . 1.4 mt-30 -62.69 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.453 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.12 73.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 539' ' ' ASP . 9.8 mmtt -64.31 -34.76 78.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 0.8 OUTLIER -45.91 -24.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.0 95.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.806 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.05 85.93 46.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 548' ' ' ARG . 32.5 Cg_exo -57.52 -151.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.707 2.271 . . . . 0.0 112.197 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 84.39 120.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -124.56 127.75 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -63.58 146.01 54.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -128.38 177.49 6.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -104.05 -11.2 17.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 152.79 -97.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.656 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.2 OUTLIER -135.97 84.62 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.329 . . . . 0.0 111.203 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -125.85 36.56 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 557' ' ' LEU . 0.3 OUTLIER -103.23 153.45 20.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 556' ' ' LYS . 0.9 OUTLIER 36.78 59.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.652 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.45 127.97 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.26 131.85 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 561' ' ' ALA . 0.0 OUTLIER -94.71 74.73 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.457 ' O ' ' CB ' ' A' ' 439' ' ' HIS . 18.6 m170 -90.52 91.61 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.782 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.457 ' CB ' ' O ' ' A' ' 438' ' ' HIS . 0.2 OUTLIER 79.95 174.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 441' ' ' HIS . 30.1 m170 -133.78 -50.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 442' ' ' HIS . 21.0 p80 35.2 43.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 441' ' ' HIS . 23.1 p80 -37.22 137.83 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 442' ' ' HIS . 0.0 OUTLIER -35.53 99.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -64.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.55 113.14 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.79 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -87.92 -19.16 27.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 58.15 173.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.038 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 83.23 169.31 44.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.592 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 450' ' ' GLN . 32.1 Cg_exo -58.52 145.8 93.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.851 2.367 . . . . 0.0 112.39 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 449' ' ' PRO . 4.6 tp-100 159.05 95.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 451' ' ' PHE . 6.6 p90 -56.09 112.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.009 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 4.7 m -53.64 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.57 ' HB2' ' CD1' ' A' ' 533' ' ' TRP . 0.6 OUTLIER -73.0 17.99 0.11 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 32.37 30.99 0.01 OUTLIER Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.373 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.2 OUTLIER 38.5 95.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.814 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 23.0 mm -74.84 126.78 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.393 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.6 ' CG2' ' CE2' ' A' ' 497' ' ' PHE . 37.3 t -112.9 109.2 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.481 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 20.1 tttt -87.81 119.61 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.447 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.64 124.38 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.718 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.556 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.69 136.19 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.103 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.591 ' HB2' ' CD1' ' A' ' 519' ' ' TRP . 24.0 t -125.92 -164.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.052 0.453 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 16.2 p -113.17 -14.51 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.505 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 462' ' ' THR . 2.5 mt-10 157.89 -46.14 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.056 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 72.7 Cg_exo -40.47 -24.99 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.656 2.237 . . . . 0.0 112.572 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.446 HD21 HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -36.62 101.05 0.21 Allowed Pre-proline 0 C--N 1.332 -0.165 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.532 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 19.8 Cg_endo -61.36 -42.86 31.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.869 2.379 . . . . 0.0 112.737 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.422 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.88 -177.12 30.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.5 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.07 -40.43 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.408 . . . . 0.0 110.773 179.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.18 -44.4 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.407 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.532 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 8.6 mm-40 -77.0 -43.85 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.564 HG21 ' CZ2' ' A' ' 519' ' ' TRP . 79.4 t -64.52 -44.07 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 0.0 110.405 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 468' ' ' ARG . 13.4 ptm180 -63.13 -42.46 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.85 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.89 -42.67 98.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.388 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 477' ' ' ALA . 2.3 p -61.32 -77.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 481' ' ' VAL . 1.8 pp -42.75 -41.09 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -69.24 -26.13 64.64 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -71.54 -29.06 64.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.377 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.465 ' O ' HG21 ' A' ' 478' ' ' ILE . 2.7 mp -81.1 -31.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.056 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.4 OUTLIER -162.75 168.63 21.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.361 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -84.3 69.58 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 475' ' ' LEU . 29.3 m -51.25 148.26 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.248 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -75.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.744 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -141.25 130.78 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.5 p -107.72 120.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.048 0.452 . . . . 0.0 111.88 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.5 131.62 47.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.142 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 487' ' ' LEU . 0.4 OUTLIER -123.05 130.29 52.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.528 ' N ' HD11 ' A' ' 486' ' ' LEU . 0.1 OUTLIER -69.12 108.11 3.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.834 0.349 . . . . 0.0 111.868 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 34.84 37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.332 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 490' ' ' ASP . . . 68.89 2.23 29.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.45 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 489' ' ' GLY . 5.9 t0 -54.46 -159.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.677 0.275 . . . . 0.0 110.643 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 465' ' ' LEU . 7.6 p -101.13 7.08 43.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 492' ' ' GLU . 7.6 pt-20 -119.58 111.36 17.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . . . . . . . . . 3.2 p -133.11 147.34 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 8.6 m80 -127.87 118.91 24.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.197 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -101.23 136.05 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 112.185 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.57 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -92.44 131.26 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.182 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.6 ' CE2' ' CG2' ' A' ' 457' ' ' VAL . 1.8 m-85 -108.68 153.57 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -20.02 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.729 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 1.2 p -139.36 150.06 62.72 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.03 -35.89 11.04 Favored 'Trans proline' 0 C--N 1.34 0.104 0 C-N-CA 122.9 2.4 . . . . 0.0 112.574 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 502' ' ' ASP . 8.9 pt-20 -61.37 -39.7 91.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.196 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 0.6 OUTLIER -59.96 -43.77 94.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.463 ' HB2' HG12 ' A' ' 523' ' ' ILE . . . -67.07 -42.99 83.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.36 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.515 ' O ' HG13 ' A' ' 507' ' ' ILE . 5.7 tt0 -61.95 -43.7 98.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.198 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.991 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 503' ' ' ALA . 4.6 p -68.62 -43.52 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.8 pp -64.79 -32.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.363 . . . . 0.0 111.038 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -70.53 -40.22 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.21 -23.41 54.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.645 ' CD1' ' CD1' ' A' ' 521' ' ' LEU . 0.4 OUTLIER -60.63 -18.98 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 58.0 p -52.17 -37.08 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 515' ' ' LYS . 2.6 mm-40 -56.08 -43.76 78.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.158 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 517' ' ' HIS . 8.1 mm -40.36 -46.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -44.39 -31.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -55.66 -30.12 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -110.65 -43.06 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.452 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 4.8 m-70 -154.17 133.32 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.0 m -62.23 107.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.5 OUTLIER -119.98 144.15 47.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.272 0.558 . . . . 0.0 111.61 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.556 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.55 134.26 52.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.541 -179.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.645 ' CD1' ' CD1' ' A' ' 510' ' ' TYR . 0.6 OUTLIER -137.08 117.32 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.676 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 143.44 37.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' ' 503' ' ' ALA . 4.0 mt -94.48 120.45 43.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.229 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.4 mm? -61.06 141.8 57.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.03 162.02 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.039 0.447 . . . . 0.0 111.429 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 52.66 -146.18 17.58 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.881 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.9 m-20 -52.38 -29.76 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.467 ' HB3' HD12 ' A' ' 524' ' ' LEU . 0.1 OUTLIER -63.97 -47.15 81.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.221 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 3.6 tt0 -68.4 -46.13 70.79 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 111.159 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 3.8 pp0? -63.54 -39.72 95.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.595 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 2.2 tmt_? -57.95 -56.35 23.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.493 ' CZ ' ' HE3' ' A' ' 535' ' ' LYS . 31.2 t80 -53.32 -42.92 67.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.484 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 453' ' ' SER . 34.4 m95 -60.99 -40.04 91.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.293 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 530' ' ' GLN . 40.2 mm-40 -52.54 -43.14 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.493 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.33 -40.25 95.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.141 179.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.469 HD11 ' CE3' ' A' ' 533' ' ' TRP . 47.7 mt -63.14 -66.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 0.0 110.991 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -58.39 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.515 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 534' ' ' GLN . 99.4 t -50.79 -38.79 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.627 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 28.3 t0 -64.07 -38.79 92.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.995 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -41.53 98.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.82 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -16.05 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 544' ' ' LEU . 3.1 tm? -61.23 -21.38 63.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.296 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -131.47 -167.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.222 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 545' ' ' ASN . 7.4 mt-30 68.07 53.61 0.61 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 546' ' ' GLN . 88.6 Cg_endo -78.54 96.7 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.795 2.33 . . . . 0.0 112.425 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.57 36.65 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -117.51 84.45 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.11 120.98 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 64.07 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.98 104.39 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 176.58 42.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.73 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.9 t -79.06 -38.43 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -176.72 76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -71.96 57.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.0 mt 58.45 166.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.88 96.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 6.0 t -128.42 155.21 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -57.25 120.52 8.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.957 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' MET . . . . . 0.449 ' O ' ' CB ' ' A' ' 438' ' ' HIS . 4.0 mtt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 437' ' ' MET . 2.2 t60 79.83 176.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.747 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.511 ' O ' ' CB ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -170.54 156.77 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.978 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 439' ' ' HIS . 1.5 t-160 84.08 75.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -106.02 48.5 0.84 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -105.43 -178.53 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -61.13 173.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 -66.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -45.96 162.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -159.01 -152.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 32.2 p -129.57 144.32 51.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -85.49 -141.48 5.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.2 77.72 1.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.03 2.487 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 40.16 47.28 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 6.8 p90 -49.98 121.55 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.363 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.11 113.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.3 OUTLIER -72.25 16.06 0.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.79 31.49 0.01 OUTLIER Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.171 -0.538 . . . . 0.0 113.772 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.8 OUTLIER 40.38 93.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.189 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.469 HD13 ' CE2' ' A' ' 533' ' ' TRP . 16.2 mm -77.9 126.85 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 497' ' ' PHE . 20.6 t -112.93 105.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.374 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 494' ' ' HIS . 17.9 tttt -78.4 120.84 23.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.274 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.403 HD11 HD12 ' A' ' 521' ' ' LEU . 1.2 mt -113.25 123.18 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.579 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 2.7 tp -132.12 134.01 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.673 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.496 ' HB3' ' NE1' ' A' ' 519' ' ' TRP . 93.5 p -119.93 -166.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.227 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 52.0 p -120.78 3.02 10.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 2.4 tt0 152.95 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.333 -0.128 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.786 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 99.4 Cg_exo -44.02 -35.76 7.76 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.979 2.453 . . . . 0.0 113.089 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.472 ' HB2' ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.07 97.7 0.14 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.815 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.554 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 55.2 Cg_endo -68.8 -37.41 11.84 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 123.18 2.587 . . . . 0.0 112.967 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 155.75 -178.66 32.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.733 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 5.1 ptm180 -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 473' ' ' ASP . 1.2 pttp -62.3 -45.07 94.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.764 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.554 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 2.4 mm-40 -75.82 -43.17 47.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.366 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 467' ' ' GLY . 42.3 t -64.48 -44.56 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 468' ' ' ARG . 5.8 ptt85 -63.28 -42.99 99.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.681 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 4.7 t0 -67.01 -37.25 83.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -56.0 21.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.515 ' CD1' HG23 ' A' ' 481' ' ' VAL . 2.2 pp -61.26 -40.28 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.091 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.33 -24.92 64.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.16 -29.59 62.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.983 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.01 -32.31 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.632 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 2.3 p -165.25 167.83 17.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.77 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -77.11 114.67 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.099 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.515 HG23 ' CD1' ' A' ' 475' ' ' LEU . 0.9 OUTLIER -107.63 169.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 179.58 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 15.6 tp -94.08 -67.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 2.6 t80 -147.03 141.75 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.442 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 62.4 t -109.99 116.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 15.1 t70 -101.26 92.79 5.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.355 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.539 ' CD1' ' HB2' ' A' ' 493' ' ' CYS . 0.5 OUTLIER -88.34 130.51 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -66.32 100.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.955 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 112.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.55 69.71 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 0.5 OUTLIER -124.95 148.36 48.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 35.4 p -81.76 12.84 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.77 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 487' ' ' LEU . 10.2 pt-20 -128.46 132.12 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.992 0.425 . . . . 0.0 111.513 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.539 ' HB2' ' CD1' ' A' ' 486' ' ' LEU . 1.4 t -129.38 145.43 51.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.233 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 458' ' ' LYS . 12.6 m80 -127.26 108.43 10.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -92.41 136.04 33.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.616 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.58 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 9.3 mtm-85 -91.97 130.45 37.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.488 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.588 ' CD1' HG21 ' A' ' 457' ' ' VAL . 2.4 m-85 -105.76 154.16 20.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -19.34 50.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.648 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.409 ' C ' HG22 ' A' ' 455' ' ' VAL . 0.8 OUTLIER -138.29 151.28 69.2 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.444 ' HA ' HG12 ' A' ' 455' ' ' VAL . 66.5 Cg_endo -73.1 -39.27 2.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.872 2.381 . . . . 0.0 112.196 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -36.49 84.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.33 -37.58 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 506' ' ' VAL . . . -66.71 -42.23 86.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.522 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -62.06 -42.32 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.25 90.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.844 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 503' ' ' ALA . 6.1 p -68.67 -43.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 504' ' ' GLN . 2.4 pp -63.7 -31.78 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 111.065 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 504' ' ' GLN . 29.0 m-80 -69.98 -40.44 75.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.88 -23.08 52.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.053 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.545 ' CE1' HD23 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -60.47 -21.63 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 22.0 p -52.4 -34.5 48.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 513' ' ' ILE . 0.2 OUTLIER -59.73 -44.23 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.601 -179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' A' ' 519' ' ' TRP . 27.0 mm -37.66 -45.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.66 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -42.58 -31.53 0.46 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.343 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -46.33 -27.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -123.23 -46.57 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.909 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.1 m-70 -144.01 121.45 11.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.27 110.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.496 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 0.0 OUTLIER -115.57 148.45 39.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.475 0.655 . . . . 0.0 112.231 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.579 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 13.3 mmtp -109.61 128.9 55.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 510' ' ' TYR . 7.3 tp -132.93 110.44 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -128.18 138.29 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.406 HD11 ' C ' ' A' ' 503' ' ' ALA . 64.8 mt -91.01 118.8 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.7 OUTLIER -63.07 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.706 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.4 t -147.51 162.59 38.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.087 0.47 . . . . 0.0 111.64 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 56.46 -156.68 11.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.649 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -48.71 -29.72 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.436 ' HB3' HD11 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -63.45 -45.51 90.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.753 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 6.4 tt0 -67.07 -45.68 76.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.204 0.526 . . . . 0.0 110.301 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 1.1 pp0? -63.33 -36.47 83.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.331 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -59.85 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.468 ' OH ' ' HB2' ' A' ' 494' ' ' HIS . 26.5 t80 -55.82 -43.28 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.413 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 453' ' ' SER . 52.2 m95 -62.13 -41.89 98.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -51.54 -44.64 62.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.5 -37.84 87.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.702 178.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 533' ' ' TRP . 42.3 mt -59.1 -63.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.98 -53.02 17.46 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 49.0 t -51.78 -39.1 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.16 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -41.96 98.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.331 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -43.59 96.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.19 69.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.188 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -14.22 10.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.373 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.465 ' O ' HD11 ' A' ' 544' ' ' LEU . 0.1 OUTLIER -48.2 -33.35 8.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.9 82.33 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.126 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 74.97 71.03 0.23 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 548' ' ' ARG . 93.0 Cg_endo -80.35 100.89 1.28 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.791 2.328 . . . . 0.0 112.429 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 44.32 -171.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.2 28.46 4.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.639 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 550' ' ' LYS . 13.6 tttp -76.6 1.51 16.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.214 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 24.1 mmmt 67.18 127.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 553' ' ' GLY . 0.0 OUTLIER -53.87 98.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.543 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 552' ' ' ARG . . . -34.13 122.17 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.645 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 7.1 t -79.68 -34.36 40.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -56.31 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.804 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 556' ' ' LYS . 11.1 tptp 48.32 80.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.586 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 558' ' ' ILE . 0.4 OUTLIER -99.83 46.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.225 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 558' ' ' ILE . 1.9 mt -152.35 130.28 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.399 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.32 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -126.44 -70.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.04 179.799 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 2.9 ttp . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -164.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -57.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 158.65 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -39.94 52.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 163.45 24.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t 73.2 137.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -127.16 178.32 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -99.9 77.89 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.08 144.33 49.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -85.09 -120.32 0.96 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.715 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.08 140.84 80.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.971 2.447 . . . . 0.0 112.539 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -146.02 66.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 3.3 p90 -51.99 134.52 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.534 ' CG2' HG11 ' A' ' 455' ' ' VAL . 4.3 p -66.37 110.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.163 0.506 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.97 144.03 55.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.524 ' CA ' ' OE1' ' A' ' 529' ' ' GLU . . . 65.61 30.67 77.93 Favored Glycine 0 CA--C 1.521 0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 115.19 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.534 HG11 ' CG2' ' A' ' 452' ' ' VAL . 5.6 m -112.71 0.1 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.456 0.628 . . . . 0.0 110.717 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.545 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 4.6 mm -89.4 91.88 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 497' ' ' PHE . 33.3 t -79.89 107.53 12.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.465 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -75.03 121.55 22.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.411 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.65 123.89 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 111.462 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 5.2 tp -132.74 136.81 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.126 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.59 ' HB2' ' CD1' ' A' ' 519' ' ' TRP . 45.3 t -126.42 -160.25 0.97 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 111.055 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 32.2 p -140.97 10.78 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 462' ' ' THR . 3.2 tp10 158.57 -56.05 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.776 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 466' ' ' PRO . 87.3 Cg_exo -36.29 -50.28 1.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.885 2.39 . . . . 0.0 112.729 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 464' ' ' PRO . 0.1 OUTLIER -31.08 92.24 0.05 OUTLIER Pre-proline 0 N--CA 1.462 0.136 0 CA-C-O 121.127 0.489 . . . . 0.0 111.045 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.543 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 55.3 Cg_endo -69.58 -38.8 7.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.148 2.566 . . . . 0.0 112.974 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.543 ' O ' ' CG2' ' A' ' 471' ' ' VAL . . . 160.59 177.16 33.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.574 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 8.5 ptt85 -61.37 -42.71 99.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 111.171 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 7.8 pttt -63.31 -44.62 94.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.543 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 23.7 mt-30 -74.81 -43.36 55.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.261 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' A' ' 467' ' ' GLY . 52.1 t -63.86 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.777 0.322 . . . . 0.0 110.642 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.471 ' O ' ' HB1' ' A' ' 476' ' ' ALA . 15.1 ptt180 -63.2 -40.49 97.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 22.9 m-20 -64.46 -37.7 88.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.921 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.457 ' O ' HD11 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -65.48 -56.03 14.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.199 0.523 . . . . 0.0 111.105 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.467 HD13 HG21 ' A' ' 481' ' ' VAL . 1.6 pp -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.463 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 472' ' ' ARG . . . -69.44 -25.68 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.738 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.91 -29.91 62.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.457 HD11 ' O ' ' A' ' 474' ' ' THR . 1.9 mp -80.95 -32.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.412 ' HB3' ' CG2' ' A' ' 506' ' ' VAL . 0.2 OUTLIER -164.08 163.12 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.837 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 480' ' ' GLU . 8.3 pt-20 -74.55 110.55 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 475' ' ' LEU . 9.1 m -103.98 159.3 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.88 -72.91 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.052 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 4.7 t80 -146.55 141.96 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.742 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 3.2 t -105.72 115.52 47.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -100.85 91.02 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 493' ' ' CYS . 2.2 tt -92.34 128.64 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 490' ' ' ASP . 2.3 mp -61.05 95.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.727 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -39.25 117.18 0.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.7 12.63 82.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.688 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 1.2 t0 -119.63 160.14 23.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.95 12.58 23.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.452 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.449 ' O ' HD11 ' A' ' 487' ' ' LEU . 0.2 OUTLIER -128.24 128.17 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.428 . . . . 0.0 111.467 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 486' ' ' LEU . 0.5 OUTLIER -127.75 146.64 50.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.339 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.439 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 6.3 m80 -123.23 101.36 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 111.23 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.34 122.97 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.566 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.518 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -92.05 137.29 32.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 457' ' ' VAL . 2.0 m-85 -110.31 148.13 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -19.06 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 152.57 59.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.15 -42.65 0.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.874 2.383 . . . . 0.0 112.253 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.61 -37.19 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.72 -40.31 72.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.516 ' O ' HG13 ' A' ' 507' ' ' ILE . 50.4 tt0 -53.18 -41.0 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.603 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.17 92.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 479' ' ' SER . 28.2 t -68.69 -42.52 83.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.535 ' CG2' HD23 ' A' ' 521' ' ' LEU . 2.8 pp -63.67 -34.1 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.563 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.52 ' N ' HD12 ' A' ' 507' ' ' ILE . 54.8 m-80 -69.81 -40.04 76.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.249 0.547 . . . . 0.0 110.208 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.56 55.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.841 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.554 ' CD1' ' CD1' ' A' ' 521' ' ' LEU . 0.4 OUTLIER -58.93 -14.41 9.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 58.7 p -46.77 -37.68 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.403 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.76 -28.03 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.639 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.482 HG13 ' CG ' ' A' ' 510' ' ' TYR . 3.3 mm -57.16 -47.7 83.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.665 0.269 . . . . 0.0 111.216 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -54.26 -31.41 53.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 111.155 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -65.76 -28.47 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.779 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.496 ' C ' ' CG ' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -97.52 -40.11 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 519' ' ' TRP . 13.3 m-70 -161.52 137.56 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 76.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.465 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.59 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.3 OUTLIER -101.01 144.7 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.209 0.528 . . . . 0.0 111.563 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.568 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.5 OUTLIER -108.77 128.74 55.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.822 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -136.95 104.64 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.74 137.99 53.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.461 HD12 HG12 ' A' ' 507' ' ' ILE . 40.0 mt -87.38 116.45 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 1.6 mm? -60.28 135.47 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.323 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.527 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 88.3 p -144.3 161.41 39.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.74 -162.32 4.32 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.734 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 m-20 -38.99 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.629 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.464 ' O ' HD13 ' A' ' 524' ' ' LEU . 0.5 OUTLIER -65.0 -46.59 80.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.527 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 6.0 pt-20 -67.47 -45.96 74.4 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.819 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 2.0 pp0? -64.28 -39.42 93.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.104 0.478 . . . . 0.0 110.467 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -56.12 -53.32 58.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.301 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.507 ' CD1' HG22 ' A' ' 456' ' ' ILE . 21.8 t80 -60.54 -43.57 97.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 110.497 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.545 ' CZ2' HD11 ' A' ' 456' ' ' ILE . 24.9 m95 -61.03 -41.94 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.49 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 530' ' ' GLN . 76.4 mm-40 -58.05 -44.51 87.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.126 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -58.25 -38.69 77.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.63 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.486 ' N ' ' HD2' ' A' ' 535' ' ' LYS . 54.7 mt -60.57 -44.87 97.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.97 -56.52 18.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.3 -40.06 54.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.31 -39.41 92.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.998 0.428 . . . . 0.0 110.333 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 536' ' ' ILE . 5.6 mmt180 -63.32 -40.47 97.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.309 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 544' ' ' LEU . 0.0 OUTLIER -62.21 -42.32 99.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.158 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.72 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.218 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -23.58 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 1.3 tp -53.18 -26.11 16.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.426 ' O ' ' HD3' ' A' ' 547' ' ' PRO . 20.2 m120 -91.09 -59.28 2.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.765 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.84 98.92 0.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 545' ' ' ASN . 74.2 Cg_exo -50.59 92.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.226 . . . . 0.0 112.131 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -125.23 -177.66 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -69.52 68.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.61 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.75 -5.71 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.125 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.45 80.32 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.4 65.14 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.783 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 554' ' ' THR . . . -116.86 -151.16 9.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.626 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 553' ' ' GLY . 0.4 OUTLIER 78.39 -55.13 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 556' ' ' LYS . 0.1 OUTLIER -130.36 125.79 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.828 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 555' ' ' GLU . 1.7 tttt 177.63 73.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.38 130.09 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 558' ' ' ILE . 0.9 OUTLIER -128.99 165.29 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.953 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 22.3 m -105.89 46.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 560' ' ' LYS . 10.3 mmmt 71.42 -159.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.998 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 438' ' ' HIS . 8.0 t-160 -161.84 33.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -48.98 142.91 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 441' ' ' HIS . 8.8 t60 -160.48 128.97 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER 164.13 -26.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 443' ' ' HIS . 22.6 t-80 -36.5 134.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 442' ' ' HIS . 2.5 m80 174.56 158.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 445' ' ' ASN . 1.4 t -59.69 156.21 14.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 445' ' ' ASN . 0.1 OUTLIER -154.15 106.33 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -149.85 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 32.7 p 53.07 -168.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 98.09 -118.17 6.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -86.54 78.97 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.917 2.412 . . . . 0.0 112.532 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 177.3 90.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 27.4 p90 -39.88 125.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.776 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.15 108.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.378 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 2.2 p -72.47 16.81 0.12 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.35 31.46 0.01 OUTLIER Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.607 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 40.62 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 117.073 0.436 . . . . 0.0 110.722 -179.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.544 HG12 ' NE1' ' A' ' 533' ' ' TRP . 8.2 mm -89.51 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.925 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 457' ' ' VAL . 4.3 p -82.09 116.91 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.518 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 7.3 tttt -84.22 123.18 29.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.357 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.46 ' HB ' ' SG ' ' A' ' 493' ' ' CYS . 5.7 mt -113.23 122.18 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.583 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.04 136.55 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.716 178.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.526 ' HB3' ' NE1' ' A' ' 519' ' ' TRP . 86.6 p -121.23 -171.22 2.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.25 0.548 . . . . 0.0 111.855 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.0 OUTLIER -115.41 -3.36 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.987 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.572 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.7 OUTLIER 154.75 -44.06 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.155 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.068 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 95.3 Cg_exo -44.81 -28.51 2.99 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.964 2.443 . . . . 0.0 113.243 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.517 ' CD1' ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -39.13 102.98 0.27 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.478 ' HG2' ' HG2' ' A' ' 470' ' ' GLN . 4.4 Cg_exo -76.26 -42.55 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 123.369 2.713 . . . . 0.0 112.588 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 160.61 174.37 30.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.303 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 6.2 ptt180 -60.62 -39.64 88.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.748 0.309 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -61.0 -44.72 97.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.478 ' HG2' ' HG2' ' A' ' 466' ' ' PRO . 0.1 OUTLIER -77.89 -44.48 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 467' ' ' GLY . 69.3 t -59.36 -44.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.324 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 468' ' ' ARG . 0.4 OUTLIER -63.74 -42.2 97.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.28 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 9.1 t70 -63.77 -37.11 86.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.429 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -66.96 -56.38 10.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.126 0.488 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 472' ' ' ARG . 1.0 OUTLIER -61.12 -38.9 88.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.36 -25.04 64.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.1 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.33 -29.74 62.88 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.29 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.46 HG23 ' HA ' ' A' ' 506' ' ' VAL . 1.5 mp -80.51 -32.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.891 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.2 OUTLIER -170.45 157.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.539 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.66 117.91 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.443 HG13 ' CZ ' ' A' ' 497' ' ' PHE . 16.1 m -104.2 166.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -69.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -142.49 140.97 32.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.228 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.423 HG21 HD13 ' A' ' 475' ' ' LEU . 10.9 t -106.19 115.78 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.913 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 485' ' ' ASP . 0.0 OUTLIER -100.17 85.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 487' ' ' LEU . 0.5 OUTLIER -86.53 126.69 34.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 490' ' ' ASP . 36.1 mt -60.87 86.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 487' ' ' LEU . 31.5 tt0 -37.29 116.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.42 83.29 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.695 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 487' ' ' LEU . 1.3 t0 -121.02 155.91 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 7.8 p -87.74 12.52 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.698 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 487' ' ' LEU . 3.1 mt-10 -125.64 125.59 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 111.234 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 486' ' ' LEU . 1.6 p -124.59 141.19 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.689 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 532' ' ' TYR . 4.7 m80 -124.0 108.23 12.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.531 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.453 ' O ' HG11 ' A' ' 457' ' ' VAL . . . -90.8 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.044 0.449 . . . . 0.0 111.889 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.449 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 3.6 mtm180 -92.1 125.83 36.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 454' ' ' GLY . 2.0 m-85 -101.17 151.48 21.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 498' ' ' LYS . 5.5 tttp -80.07 -19.11 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.435 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -134.92 151.82 76.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 111.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.26 -40.83 1.07 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.816 2.344 . . . . 0.0 112.248 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.479 ' OE2' ' NE2' ' A' ' 443' ' ' HIS . 0.9 OUTLIER -64.46 -35.26 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.541 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.67 -41.46 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -67.16 -41.89 85.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.1 OUTLIER -61.87 -42.33 98.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.19 0.519 . . . . 0.0 110.571 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.14 92.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.941 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.538 HG11 ' N ' ' A' ' 507' ' ' ILE . 15.0 p -68.66 -42.72 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.538 ' N ' HG11 ' A' ' 506' ' ' VAL . 1.0 OUTLIER -66.28 -35.1 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.92 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.448 ' O ' HG23 ' A' ' 511' ' ' THR . 90.4 m-20 -70.04 -40.53 75.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.218 0.533 . . . . 0.0 109.973 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.19 -22.73 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.482 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.574 ' CG ' HD21 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -59.82 -12.74 8.05 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.566 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 508' ' ' ASN . 0.0 OUTLIER -49.89 -37.29 30.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 515' ' ' LYS . 1.6 mt-10 -65.05 -28.44 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.277 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 510' ' ' TYR . 50.8 mm -54.07 -46.27 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.146 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.24 -24.98 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 512' ' ' GLU . 2.8 mmtt -60.52 -17.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -119.6 -36.12 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.755 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 1.8 m-70 -160.79 130.59 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.681 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 57.0 m -58.37 76.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -93.93 145.02 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.583 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 3.5 mmtt -109.13 135.35 50.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.558 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.574 HD21 ' CG ' ' A' ' 510' ' ' TYR . 8.2 tp -132.85 109.29 9.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.517 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.13 123.46 40.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 114.98 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.6 mt -63.28 134.97 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.2 t -144.7 162.17 37.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.383 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.29 -136.18 43.38 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.115 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -30.36 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.611 0.243 . . . . 0.0 111.12 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -64.12 -46.9 82.14 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.074 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 533' ' ' TRP . 3.0 tp10 -68.1 -45.63 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.412 . . . . 0.0 110.647 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.08 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -51.4 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 494' ' ' HIS . 36.4 t80 -57.22 -43.68 83.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.552 ' CE3' HD12 ' A' ' 536' ' ' ILE . 51.3 m95 -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -52.52 -43.13 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -62.67 -38.18 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.552 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.552 HD12 ' CE3' ' A' ' 533' ' ' TRP . 34.7 mt -64.57 -67.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.712 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.73 -56.58 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.28 -38.97 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 543' ' ' LYS . 26.7 t0 -64.34 -37.7 88.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.59 98.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.706 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.22 -43.09 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.7 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 539' ' ' ASP . 62.6 mttt -62.76 -31.49 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.398 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 38.9 tp -44.01 -28.44 0.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -158.26 108.9 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.206 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.422 ' HG3' ' HD2' ' A' ' 547' ' ' PRO . 21.7 tt0 65.82 129.38 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.422 ' HD2' ' HG3' ' A' ' 546' ' ' GLN . 39.0 Cg_endo -66.94 -161.88 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.602 2.202 . . . . 0.0 112.116 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.93 120.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -164.78 75.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -176.81 111.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER 163.05 -23.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.294 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -71.52 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 554' ' ' THR . . . 87.85 -112.12 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.567 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER 47.04 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.823 0.344 . . . . 0.0 111.089 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -170.29 52.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.09 136.79 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.716 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.418 ' C ' HG12 ' A' ' 558' ' ' ILE . 13.0 mt -86.64 -49.04 7.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.418 HG12 ' C ' ' A' ' 557' ' ' LEU . 0.2 OUTLIER -173.66 155.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.2 m -120.44 137.88 54.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -81.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.013 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 45.2 tpp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.869 0.366 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.18 89.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.535 ' C ' ' CG ' ' A' ' 440' ' ' HIS . 9.7 p-80 -121.17 -176.62 3.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.535 ' CG ' ' C ' ' A' ' 439' ' ' HIS . 0.8 OUTLIER -162.41 129.32 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 440' ' ' HIS . 0.2 OUTLIER 168.88 95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -52.21 162.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 444' ' ' SER . 0.4 OUTLIER -97.43 -152.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.684 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 443' ' ' HIS . 0.0 OUTLIER 54.21 109.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 0.0 OUTLIER -113.99 174.03 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.458 ' O ' ' OG1' ' A' ' 447' ' ' THR . . . 67.02 8.28 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 446' ' ' ALA . 6.7 m -170.88 77.44 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -146.48 69.4 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.44 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.67 67.22 8.48 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.817 2.345 . . . . 0.0 112.482 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -154.86 32.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.645 ' CE2' ' CD1' ' A' ' 533' ' ' TRP . 18.5 p90 -76.88 134.14 39.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.571 HG12 ' CZ2' ' A' ' 533' ' ' TRP . 7.2 p -47.21 89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.318 0.58 . . . . 0.0 110.65 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 451' ' ' PHE . 0.3 OUTLIER -70.77 144.82 50.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.133 -178.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.84 80.63 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 115.638 1.015 . . . . 0.0 115.638 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.529 ' CG2' HG11 ' A' ' 452' ' ' VAL . 28.7 m -121.62 5.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.627 0.714 . . . . 0.0 110.953 178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.527 HG21 ' CD1' ' A' ' 532' ' ' TYR . 4.8 mm -90.36 94.09 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' A' ' 497' ' ' PHE . 99.3 t -91.24 118.68 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.154 0.502 . . . . 0.0 112.16 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.488 ' HB2' ' CD2' ' A' ' 494' ' ' HIS . 24.2 tttt -80.41 123.54 28.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.659 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 459' ' ' ILE . 16.7 mt -114.02 125.37 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.323 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.584 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.56 138.46 52.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.593 ' HB2' ' CD1' ' A' ' 519' ' ' TRP . 28.8 t -125.55 -163.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.964 0.411 . . . . 0.0 111.002 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 32.9 p -133.63 3.63 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.403 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 1.6 tt0 158.29 -46.97 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 80.7 Cg_exo -45.31 -36.81 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.941 2.427 . . . . 0.0 112.799 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 464' ' ' PRO . 0.1 OUTLIER -37.45 99.71 0.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.114 0.483 . . . . 0.0 110.72 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.545 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 66.8 Cg_endo -73.56 -41.9 1.02 Allowed 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 123.025 2.484 . . . . 0.0 113.031 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.47 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 156.03 178.93 30.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.386 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 9.2 ptp180 -61.54 -40.44 94.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.714 0.293 . . . . 0.0 111.204 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.37 -45.55 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.096 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.545 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 2.9 mt-30 -79.83 -43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 467' ' ' GLY . 50.7 t -61.44 -44.29 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.233 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 468' ' ' ARG . 6.4 ptm180 -63.72 -42.22 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.049 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 477' ' ' ALA . 6.6 m-20 -64.3 -35.21 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 471' ' ' VAL . 0.8 OUTLIER -67.68 -57.63 6.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.554 ' CD1' ' CG2' ' A' ' 481' ' ' VAL . 1.9 pp -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.384 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 473' ' ' ASP . . . -73.81 -29.99 62.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.334 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 506' ' ' VAL . 2.6 mt -81.05 -32.69 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 506' ' ' VAL . 0.3 OUTLIER -171.54 114.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.905 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 479' ' ' SER . 2.1 tt0 -36.33 123.27 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.606 ' CG1' ' CE2' ' A' ' 497' ' ' PHE . 12.7 m -113.5 158.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.366 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 483' ' ' TYR . 2.5 tm? -68.02 -71.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.568 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.586 ' CD2' ' NH2' ' A' ' 496' ' ' ARG . 6.9 t80 -148.91 141.56 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.352 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.8 t -98.51 119.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.531 ' HB2' ' NH1' ' A' ' 496' ' ' ARG . 38.3 t70 -100.83 86.97 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.442 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -94.52 128.9 41.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.571 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 490' ' ' ASP . 1.7 mp -70.23 96.14 1.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.675 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 487' ' ' LEU . 6.2 tp10 -34.5 122.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.472 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.73 84.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.927 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.52 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 5.8 t70 -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.83 8.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.022 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -123.79 120.27 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.093 0.473 . . . . 0.0 111.56 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 486' ' ' LEU . 1.8 p -128.41 141.87 51.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.078 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 458' ' ' LYS . 5.0 m80 -121.3 106.34 11.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -85.1 128.81 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.427 . . . . 0.0 111.812 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.586 ' NH2' ' CD2' ' A' ' 483' ' ' TYR . 0.0 OUTLIER -93.13 134.91 34.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.429 179.339 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.606 ' CE2' ' CG1' ' A' ' 481' ' ' VAL . 1.2 m-85 -109.99 151.58 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -70.38 -17.06 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.789 0.328 . . . . 0.0 111.048 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.82 152.75 59.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.22 -40.57 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.82 2.347 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.75 -30.75 69.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.38 -32.15 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.425 ' C ' HD12 ' A' ' 523' ' ' ILE . . . -65.45 -42.24 92.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.374 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.8 OUTLIER -58.39 -41.32 84.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.266 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.54 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.805 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 479' ' ' SER . 59.1 t -68.49 -43.4 83.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.528 ' CG2' HD21 ' A' ' 521' ' ' LEU . 2.4 pp -65.32 -33.68 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.426 ' CG ' HD13 ' A' ' 507' ' ' ILE . 91.3 m-20 -69.93 -40.08 75.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.21 0.529 . . . . 0.0 110.123 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.14 -27.33 57.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.674 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -55.23 -21.15 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.357 -178.551 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 1.3 t -49.26 -37.4 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 0.0 109.472 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' A' ' 515' ' ' LYS . 0.4 OUTLIER -64.27 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.278 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.453 HG22 ' CB ' ' A' ' 519' ' ' TRP . 15.7 mm -49.34 -46.48 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.353 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.78 -24.78 62.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.728 0.299 . . . . 0.0 111.179 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.467 ' HG3' ' HG2' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -52.87 -20.35 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 516' ' ' LYS . 0.1 OUTLIER -124.09 -41.63 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.495 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.3 m-70 -153.62 128.04 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.5 120.73 9.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.659 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.593 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.5 OUTLIER -131.76 143.02 49.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.681 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.584 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 6.8 mmtt -109.64 123.98 50.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.203 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 510' ' ' TYR . 0.1 OUTLIER -137.6 106.51 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 179.218 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.21 135.09 52.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.508 ' CD1' HG22 ' A' ' 507' ' ' ILE . 35.4 mt -88.81 117.33 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.449 HD13 HG23 ' A' ' 456' ' ' ILE . 7.3 mt -63.5 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.624 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.445 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -143.63 161.1 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 111.396 -179.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 50.94 -146.18 10.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.944 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -31.23 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 110.883 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.409 ' ND1' HD22 ' A' ' 524' ' ' LEU . 2.1 t-160 -65.31 -46.61 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.445 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 5.0 pt-20 -67.72 -45.63 74.51 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.23 0.538 . . . . 0.0 110.355 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -64.13 -36.24 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.693 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.9 OUTLIER -62.45 -50.75 70.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.446 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 456' ' ' ILE . 12.3 t80 -61.0 -43.94 98.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 111.09 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.645 ' CD1' ' CE2' ' A' ' 451' ' ' PHE . 26.9 m95 -62.4 -33.14 74.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.922 0.392 . . . . 0.0 110.101 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 0.0 OUTLIER -60.2 -41.33 92.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.674 178.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 532' ' ' TYR . 0.1 OUTLIER -62.48 -40.31 96.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.731 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.556 HD12 ' CZ3' ' A' ' 533' ' ' TRP . 23.9 mt -61.47 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 537' ' ' LEU . 2.8 mm? -66.79 -47.63 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.92 -39.35 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -38.93 92.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.78 -41.67 99.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.598 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -42.29 98.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.24 78.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -48.51 -24.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 544' ' ' LEU . 1.9 tm? -39.76 -33.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.235 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.65 -62.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -172.18 151.04 2.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.33 86.4 0.81 Allowed 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.83 -171.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.73 99.76 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.85 113.21 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -48.14 141.64 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -172.66 129.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 107.79 131.55 6.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.614 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 554' ' ' THR . 12.9 t -127.4 55.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 68.27 81.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.747 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 74.9 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.36 84.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 27.0 mt -125.21 130.47 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -73.37 137.62 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 561' ' ' ALA . 0.4 OUTLIER -83.67 151.31 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.32 153.14 35.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 441' ' ' HIS . 0.1 OUTLIER -119.79 52.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 439' ' ' HIS . 82.1 m-70 65.2 -64.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 439' ' ' HIS . 1.2 m-70 -113.27 148.19 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -85.42 -21.63 28.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 177.45 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.2 p -77.03 -173.72 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.91 146.7 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -136.86 124.83 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 7.2 p -119.58 150.94 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 153.41 -93.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.559 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -48.71 142.97 17.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.828 2.352 . . . . 0.0 112.417 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.01 52.83 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.497 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 13.2 p90 -66.64 123.37 19.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.544 ' O ' ' CG1' ' A' ' 452' ' ' VAL . 5.2 p -62.74 107.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 110.485 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.7 OUTLIER -72.61 17.39 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -179.107 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.27 31.51 0.01 OUTLIER Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.863 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.1 OUTLIER 36.31 94.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.98 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 16.1 mm -73.31 126.82 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.752 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.63 ' CG2' ' CE2' ' A' ' 497' ' ' PHE . 10.6 t -112.52 112.77 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.527 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 111.213 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 45.6 mt -112.43 122.41 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.581 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.4 136.03 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 179.248 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 460' ' ' ILE . 1.2 p -121.43 -164.96 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.738 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.4 p -132.48 9.52 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 462' ' ' THR . 1.3 mm-40 156.63 -48.46 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 84.0 Cg_exo -45.16 -37.4 13.19 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.947 2.432 . . . . 0.0 112.598 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 491' ' ' THR . 0.1 OUTLIER -40.83 98.99 0.19 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.112 0.482 . . . . 0.0 110.709 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' A' ' 470' ' ' GLN . 4.4 Cg_exo -74.62 -34.94 3.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.343 2.695 . . . . 0.0 112.597 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.476 ' O ' HG22 ' A' ' 471' ' ' VAL . . . 154.92 -178.33 31.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.305 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 469' ' ' LYS . 4.0 ptt-85 -62.36 -41.16 98.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.014 0.435 . . . . 0.0 110.839 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 468' ' ' ARG . 29.8 pttt -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.531 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 466' ' ' PRO . 1.4 tm0? -75.44 -44.29 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 467' ' ' GLY . 79.7 t -65.99 -44.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 31.4 ptt85 -62.87 -44.47 96.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.588 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 24.6 t0 -63.44 -43.16 98.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.391 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.2 OUTLIER -57.77 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.64 179.547 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.47 HD23 HG21 ' A' ' 484' ' ' VAL . 3.5 pp -41.89 -40.16 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.734 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.14 -26.63 65.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.189 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.39 -30.44 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.575 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.1 mp -82.64 -32.39 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 3.0 p -155.65 154.99 32.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.434 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.49 113.0 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.358 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.434 HG21 HD11 ' A' ' 475' ' ' LEU . 3.1 m -106.67 173.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.47 -65.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -145.39 141.9 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.634 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 495' ' ' ALA . 61.1 t -113.8 113.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -101.96 97.5 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.272 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.526 ' CD2' ' HB2' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -101.01 130.47 47.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.727 179.591 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 486' ' ' LEU . 0.3 OUTLIER -58.66 108.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -45.96 122.5 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.35 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.03 71.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.852 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 11.9 t0 -113.71 166.09 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.47 ' O ' HD11 ' A' ' 465' ' ' LEU . 6.2 p -101.63 12.78 36.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.206 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 117.84 26.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 486' ' ' LEU . 1.7 t -122.0 141.4 51.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.974 0.416 . . . . 0.0 110.948 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 17.3 m80 -128.47 109.39 11.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.511 ' HB3' ' CG1' ' A' ' 484' ' ' VAL . . . -102.33 134.48 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.143 0.497 . . . . 0.0 112.023 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 12.3 mtp180 -86.74 130.25 34.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.083 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.63 ' CE2' ' CG2' ' A' ' 457' ' ' VAL . 2.3 m-85 -100.99 146.54 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.624 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -19.58 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.014 0.435 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 150.12 55.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.802 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.429 ' HA ' ' CG1' ' A' ' 455' ' ' VAL . 72.2 Cg_endo -75.36 -38.36 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.732 2.288 . . . . 0.0 112.305 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -39.57 91.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -35.7 81.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.087 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.9 tt0 -62.71 -41.13 98.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.82 90.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.178 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.526 HG11 ' N ' ' A' ' 507' ' ' ILE . 10.7 p -68.52 -43.43 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.526 ' N ' HG11 ' A' ' 506' ' ' VAL . 0.9 OUTLIER -66.48 -35.84 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.465 ' O ' HG21 ' A' ' 511' ' ' THR . 94.5 m-20 -70.41 -40.7 73.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.132 0.492 . . . . 0.0 110.291 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.03 -23.34 55.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.515 ' CD1' HD12 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -60.89 -8.63 3.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.361 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.465 HG21 ' O ' ' A' ' 508' ' ' ASN . 82.1 p -53.16 -36.16 60.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 515' ' ' LYS . 10.8 pt-20 -54.1 -40.63 67.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.356 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 519' ' ' TRP . 33.4 mm -45.43 -46.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -48.4 -32.68 7.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 512' ' ' GLU . 12.3 mmtt -54.55 -26.3 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 516' ' ' LYS . 0.0 OUTLIER -120.32 -39.84 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 464' ' ' PRO . 34.4 m-70 -154.12 128.68 9.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.58 120.92 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.729 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.49 ' HB2' HG23 ' A' ' 513' ' ' ILE . 0.0 OUTLIER -126.41 147.26 49.81 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.464 0.65 . . . . 0.0 111.913 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.581 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.7 OUTLIER -110.01 135.21 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.539 -179.648 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -136.78 127.85 27.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.354 179.006 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.62 131.91 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.372 . . . . 0.0 111.47 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.55 114.9 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.504 ' CD1' ' ND1' ' A' ' 528' ' ' HIS . 2.8 mm? -62.58 144.7 55.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 111.214 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 51.1 p -147.92 162.14 39.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.402 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.48 -143.67 26.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.108 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 3.6 m-20 -56.69 -30.03 63.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.709 0.29 . . . . 0.0 111.205 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.504 ' ND1' ' CD1' ' A' ' 524' ' ' LEU . 6.3 t-160 -64.06 -46.79 82.8 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.451 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 11.7 tt0 -68.11 -45.12 74.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 0.0 110.492 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 2.2 pp0? -62.96 -38.18 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.692 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -60.88 -54.44 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.813 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.451 ' O ' ' HD2' ' A' ' 535' ' ' LYS . 25.7 t80 -52.24 -43.86 64.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.069 0.461 . . . . 0.0 110.371 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 536' ' ' ILE . 49.4 m95 -62.35 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.473 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 3.2 mm-40 -50.53 -44.41 56.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.54 -39.68 94.37 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.432 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.57 HD12 ' CZ3' ' A' ' 533' ' ' TRP . 40.2 mt -61.13 -55.45 24.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.38 -59.54 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 42.7 t -54.04 -38.29 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 535' ' ' LYS . 6.2 t0 -62.29 -39.21 92.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.624 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 536' ' ' ILE . 22.4 mmt85 -63.28 -40.78 98.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 541' ' ' GLN . 0.9 OUTLIER -61.8 -42.4 98.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.806 179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.81 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.419 ' HE2' ' HD3' ' A' ' 540' ' ' ARG . 0.3 OUTLIER -56.3 -35.97 68.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.792 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 544' ' ' LEU . 0.0 OUTLIER -58.94 -16.71 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.431 ' C ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -118.2 -47.53 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.49 64.17 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.431 ' HD3' ' C ' ' A' ' 545' ' ' ASN . 57.6 Cg_endo -71.43 -163.95 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.71 175.46 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.719 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 550' ' ' LYS . 0.3 OUTLIER 68.52 170.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 551' ' ' LYS . 7.6 mttp 64.12 133.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 550' ' ' LYS . 8.6 ttmt 66.53 64.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -76.8 -22.3 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 130.23 176.14 14.3 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.544 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.91 8.27 6.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.771 0.32 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.25 49.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 166.89 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.971 0.415 . . . . 0.0 111.111 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.09 21.56 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 9.9 mt 66.09 145.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.349 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.5 m -113.12 62.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -127.53 -52.51 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.974 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -173.12 170.21 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.51 169.65 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.029 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 441' ' ' HIS . 0.0 OUTLIER 68.46 156.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 440' ' ' HIS . 1.5 p-80 165.79 58.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.617 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.4 35.52 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.199 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -152.49 -59.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.41 90.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.66 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -145.75 110.78 5.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.61 146.02 40.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -80.21 113.17 3.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.438 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . 0.426 ' O ' ' CD ' ' A' ' 450' ' ' GLN . 90.9 Cg_endo -83.21 68.84 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.833 2.355 . . . . 0.0 112.453 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 449' ' ' PRO . 2.5 mp0 -145.98 27.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 34.4 p90 -81.97 109.27 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 452' ' ' VAL . 14.4 p -44.83 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.412 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.576 ' O ' ' N ' ' A' ' 455' ' ' VAL . 3.2 p -72.55 17.17 0.12 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.89 31.89 0.01 OUTLIER Glycine 0 C--N 1.334 0.468 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.798 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.576 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 37.26 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 117.112 0.456 . . . . 0.0 110.833 -179.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.528 HG12 ' NE1' ' A' ' 533' ' ' TRP . 4.2 mm -79.35 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.963 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.58 HG22 ' CD2' ' A' ' 497' ' ' PHE . 71.4 t -74.11 124.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.039 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -97.2 121.13 38.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.278 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.499 HG21 ' CZ2' ' A' ' 519' ' ' TRP . 0.9 OUTLIER -112.99 120.45 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 178.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.562 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.23 133.56 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 178.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 460' ' ' ILE . 59.4 p -112.33 -168.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 2.9 p -88.81 -21.39 23.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 462' ' ' THR . 0.1 OUTLIER 158.67 -50.7 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.964 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 87.5 Cg_exo -45.79 -62.41 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.748 2.299 . . . . 0.0 112.448 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER 36.58 94.56 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 110.571 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.51 ' HB2' ' CB ' ' A' ' 470' ' ' GLN . 79.1 Cg_exo -31.39 -56.25 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.371 2.714 . . . . 0.0 112.819 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.518 ' O ' ' CG2' ' A' ' 471' ' ' VAL . . . 151.8 -178.81 28.87 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.901 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -62.86 -43.45 98.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.037 0.446 . . . . 0.0 110.493 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.1 OUTLIER -64.1 -45.38 88.92 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.397 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 466' ' ' PRO . 8.3 mm100 -75.15 -43.83 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 467' ' ' GLY . 96.3 t -61.72 -43.48 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.719 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 0.7 OUTLIER -63.06 -44.49 95.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.531 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.6 OUTLIER -67.84 -32.57 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.468 ' OG1' ' HA ' ' A' ' 471' ' ' VAL . 0.8 OUTLIER -65.61 -56.43 12.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.126 0.489 . . . . 0.0 111.449 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 481' ' ' VAL . 1.7 pp -62.01 -40.88 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.147 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 472' ' ' ARG . . . -69.16 -24.82 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.558 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.37 63.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 474' ' ' THR . 2.9 mp -81.16 -32.8 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.386 . . . . 0.0 110.584 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.464 ' HB3' ' OD2' ' A' ' 502' ' ' ASP . 17.1 m -164.5 165.9 20.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.7 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.25 114.86 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.49 HG12 ' CE1' ' A' ' 497' ' ' PHE . 5.0 m -106.42 159.75 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -71.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.548 ' CE1' ' OD2' ' A' ' 485' ' ' ASP . 7.5 t80 -141.11 139.14 33.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 13.4 p -108.43 115.05 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.363 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.548 ' OD2' ' CE1' ' A' ' 483' ' ' TYR . 0.1 OUTLIER -101.23 91.27 4.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -96.91 129.74 44.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.756 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 486' ' ' LEU . 4.9 mt -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.39 126.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.425 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.47 7.53 73.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.63 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 0.4 OUTLIER -112.88 166.53 11.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.89 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 62.7 p -102.3 12.77 36.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -127.2 123.9 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.09 0.471 . . . . 0.0 111.661 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.445 ' HB2' HD23 ' A' ' 486' ' ' LEU . 2.2 t -125.98 145.1 50.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.458 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 9.6 m80 -126.45 102.22 7.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -90.9 129.43 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.182 0.515 . . . . 0.0 111.944 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 123.96 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.425 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.58 ' CD2' HG22 ' A' ' 457' ' ' VAL . 2.9 m-85 -102.29 147.82 26.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.584 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -17.53 59.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.614 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.449 ' O ' HG21 ' A' ' 455' ' ' VAL . 2.7 p -144.8 149.57 43.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.087 0.47 . . . . 0.0 111.772 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.458 ' HA ' HG12 ' A' ' 455' ' ' VAL . 58.7 Cg_endo -72.06 -39.44 3.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.86 2.374 . . . . 0.0 111.923 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -60.34 -38.34 83.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 479' ' ' SER . 0.2 OUTLIER -62.86 -42.49 99.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.545 179.667 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.73 84.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 507' ' ' ILE . 34.7 tt0 -54.88 -43.49 73.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.191 0.519 . . . . 0.0 110.173 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.49 90.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.14 -43.93 84.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.3 pt -67.23 -35.41 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 111.415 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.438 ' O ' HG22 ' A' ' 511' ' ' THR . 89.4 m-20 -70.8 -40.06 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.363 0.601 . . . . 0.0 109.877 178.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.13 -25.79 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.445 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.553 ' CG ' HD21 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -59.41 -17.16 28.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.202 -178.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 508' ' ' ASN . 3.3 t -55.21 -35.96 65.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.01 -40.48 76.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 517' ' ' HIS . 42.6 mm -41.01 -45.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -45.18 -28.77 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -26.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.736 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.562 ' CG ' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -124.73 -37.73 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.592 179.601 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.562 ' NE2' ' CG ' ' A' ' 516' ' ' LYS . 1.8 m-70 -154.26 129.9 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.635 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.485 ' O ' ' NZ ' ' A' ' 520' ' ' LYS . 1.9 t -65.08 97.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.748 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 459' ' ' ILE . 0.2 OUTLIER -103.06 147.59 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.162 0.506 . . . . 0.0 111.599 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.562 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.5 OUTLIER -109.39 136.01 49.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.727 -179.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.553 HD21 ' CG ' ' A' ' 510' ' ' TYR . 6.5 tp -136.92 113.09 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.855 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.6 136.23 51.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 70.5 mt -90.1 118.96 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 3.7 mm? -62.12 137.19 58.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.679 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.457 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 4.5 p -148.52 162.42 39.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.396 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.04 -160.86 4.19 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.781 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 1.5 m-20 -39.76 -30.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.498 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -45.94 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 2.0 pt-20 -66.71 -45.58 78.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.028 0.442 . . . . 0.0 110.239 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.518 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -63.53 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.828 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.518 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -58.35 -54.77 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.002 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.594 ' CE2' ' CE ' ' A' ' 535' ' ' LYS . 24.1 t80 -59.55 -44.49 93.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.96 0.41 . . . . 0.0 110.752 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 453' ' ' SER . 42.5 m95 -62.23 -42.02 98.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.479 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.458 ' CG ' ' OE1' ' A' ' 530' ' ' GLN . 43.0 mm-40 -51.87 -41.81 62.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.722 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.594 ' CE ' ' CE2' ' A' ' 532' ' ' TYR . 1.7 pttp -63.08 -40.66 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.514 HD11 ' CE3' ' A' ' 533' ' ' TRP . 67.1 mt -64.41 -55.03 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.81 -55.96 28.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.68 -39.57 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.369 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 43.1 t0 -64.58 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.534 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -62.18 -41.04 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.1 -40.64 98.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.387 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.17 81.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -42.43 -32.73 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -29.16 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.61 149.14 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.29 63.81 1.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.19 111.08 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.982 2.454 . . . . 0.0 112.322 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.65 101.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 550' ' ' LYS . 4.6 mm-40 -124.9 115.55 20.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 549' ' ' GLU . 1.0 OUTLIER 36.65 75.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.66 93.04 8.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.037 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 129.78 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.783 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -137.18 177.41 19.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.729 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.91 58.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.98 93.7 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.429 ' O ' HG12 ' A' ' 558' ' ' ILE . 3.2 mtmt -104.05 100.04 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.04 133.65 27.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 556' ' ' LYS . 5.5 mm -123.56 92.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 30.2 p -106.37 -29.7 9.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 58.58 68.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.037 -179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 22.5 mtm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.816 0.341 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . 0.507 ' O ' ' CB ' ' A' ' 439' ' ' HIS . 2.4 m80 -63.91 169.95 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . 0.507 ' CB ' ' O ' ' A' ' 438' ' ' HIS . 3.3 t-80 83.28 72.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.442 ' O ' ' HB2' ' A' ' 441' ' ' HIS . 7.0 t-80 -101.1 148.3 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.707 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER 78.07 161.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 -179.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.96 140.79 50.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.985 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.96 59.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.89 112.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.814 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.03 -86.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . 174.06 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 5.3 p -51.42 169.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -149.83 -73.54 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.23 87.16 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.793 2.328 . . . . 0.0 112.202 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.44 112.39 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 38.6 p90 -87.34 109.87 19.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.116 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 5.4 m -43.87 99.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.432 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.8 OUTLIER -72.24 17.42 0.1 Allowed 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.239 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.15 31.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.16 -0.543 . . . . 0.0 113.889 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.2 OUTLIER 34.95 96.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.071 0.436 . . . . 0.0 111.201 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . . . . . . . . . 26.4 mm -72.61 126.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.416 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.578 HG23 ' CE2' ' A' ' 497' ' ' PHE . 83.2 t -113.13 97.0 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.739 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 1.2 tttt -74.59 117.09 16.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.382 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.52 HG22 ' CD2' ' A' ' 521' ' ' LEU . 4.3 mt -112.62 124.53 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.686 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.571 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.97 134.71 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.043 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.526 ' OG ' ' CD1' ' A' ' 465' ' ' LEU . 85.0 p -121.11 -164.78 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.3 p -120.72 -8.54 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.531 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.3 OUTLIER 156.26 -45.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 94.7 Cg_exo -44.5 -26.33 1.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.855 2.37 . . . . 0.0 112.673 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.526 ' CD1' ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -38.76 103.13 0.27 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.373 . . . . 0.0 110.646 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.494 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 32.4 Cg_endo -64.56 -44.81 10.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.782 2.321 . . . . 0.0 112.703 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.421 ' O ' HG21 ' A' ' 471' ' ' VAL . . . 156.58 -178.65 32.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.468 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.41 ' N ' HD12 ' A' ' 486' ' ' LEU . 19.0 ptt180 -61.72 -41.8 98.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.3 OUTLIER -62.53 -43.3 99.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.372 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.494 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 4.2 mm-40 -76.63 -43.05 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.485 ' O ' ' OG1' ' A' ' 474' ' ' THR . 34.8 t -63.05 -44.71 99.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.122 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 23.6 ptt85 -63.58 -39.52 94.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.663 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.425 ' O ' ' HB1' ' A' ' 477' ' ' ALA . 0.1 OUTLIER -58.45 -45.67 88.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.166 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 477' ' ' ALA . 1.5 p -61.03 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.376 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 4.0 pp -42.19 -41.51 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.225 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -69.58 -26.45 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -72.11 -29.08 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.53 -30.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 75.6 m -167.31 161.97 14.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.71 117.78 17.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.63 ' CG1' ' CE1' ' A' ' 497' ' ' PHE . 2.2 m -105.16 161.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.56 -70.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.4 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -143.06 136.46 28.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.0 p -111.55 116.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.009 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 493' ' ' CYS . 7.0 t70 -95.29 130.55 42.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 468' ' ' ARG . 0.0 OUTLIER -130.84 120.35 23.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.179 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 490' ' ' ASP . 2.6 mt -61.09 93.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.696 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.9 tm-20 -33.75 125.79 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.573 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 70.77 7.35 61.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.829 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 487' ' ' LEU . 3.4 t0 -108.3 170.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.1 p -105.9 12.27 30.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.97 131.49 47.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 111.348 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 485' ' ' ASP . 3.1 p -136.88 145.46 44.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.461 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 16.5 m80 -125.81 110.63 13.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.325 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -92.82 135.04 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.104 0.478 . . . . 0.0 111.745 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 -95.18 130.78 41.77 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.541 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 481' ' ' VAL . 3.1 m-85 -112.45 152.34 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.19 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -18.99 50.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.657 0.265 . . . . 0.0 111.383 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 2.9 p -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.472 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.82 -37.09 3.11 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.917 2.411 . . . . 0.0 112.341 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -39.94 94.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.5 -42.04 98.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.533 ' O ' ' CG1' ' A' ' 506' ' ' VAL . . . -66.49 -41.72 88.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.8 tt0 -62.17 -37.65 86.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.007 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 503' ' ' ALA . 2.9 p -68.23 -42.1 84.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.3 pt -64.68 -33.49 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 111.439 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 507' ' ' ILE . 79.3 m-20 -69.82 -40.31 75.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.276 0.56 . . . . 0.0 110.065 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.34 53.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.575 ' CE2' HD13 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -62.54 -10.84 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 514' ' ' ASN . 44.7 p -52.46 -37.48 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.464 ' HA ' ' HD2' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -53.32 -45.82 69.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.167 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.575 HD13 ' CE2' ' A' ' 510' ' ' TYR . 50.9 mt -53.55 -47.39 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.889 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 511' ' ' THR . 3.3 t-20 -40.35 -32.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 512' ' ' GLU . 1.7 mttp -67.74 -50.35 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.4 ' HG3' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -74.81 -42.78 57.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.774 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.4 ' NE2' ' HG3' ' A' ' 516' ' ' LYS . 23.1 m-70 -153.01 123.49 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.601 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.15 92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.482 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 0.3 OUTLIER -110.23 144.49 38.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.46 0.647 . . . . 0.0 111.829 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.571 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 3.0 mmtp -109.55 130.39 55.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.167 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.526 ' HG ' ' CD1' ' A' ' 510' ' ' TYR . 0.4 OUTLIER -132.91 115.14 14.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.588 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.03 142.65 38.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.11 119.88 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 6.2 mt -58.44 146.79 33.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.7 t -145.06 161.92 38.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.614 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 51.66 -133.99 34.98 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 113.018 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.32 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.615 0.245 . . . . 0.0 111.413 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -46.73 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.655 0.264 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 18.6 tt0 -68.14 -45.26 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -40.61 97.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.726 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 11.8 ttt180 -57.68 -55.75 30.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.62 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.529 ' CZ ' ' HE3' ' A' ' 535' ' ' LYS . 25.7 t80 -51.1 -42.66 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.256 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.568 ' CE2' ' HA ' ' A' ' 453' ' ' SER . 38.0 m95 -61.57 -41.82 97.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -49.07 -44.6 42.07 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.529 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.39 -39.25 92.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.481 178.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.508 HD11 ' CZ3' ' A' ' 533' ' ' TRP . 36.4 mt -62.48 -62.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.796 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -47.33 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.416 ' HA ' ' HG2' ' A' ' 541' ' ' GLN . 97.7 t -51.76 -38.67 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -63.75 -38.96 93.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -63.25 -40.88 98.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.435 ' CA ' ' OE1' ' A' ' 541' ' ' GLN . 0.7 OUTLIER -63.23 -42.43 99.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.52 80.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -61.54 -33.11 73.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 545' ' ' ASN . 0.3 OUTLIER -57.28 -30.24 64.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 544' ' ' LEU . 15.6 m120 72.43 137.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 42.49 67.99 3.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 113.61 2.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 549' ' ' GLU . 0.0 OUTLIER -110.82 85.26 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . 0.46 ' O ' ' NH2' ' A' ' 548' ' ' ARG . 0.0 OUTLIER -131.42 177.7 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 549' ' ' GLU . 0.0 OUTLIER 167.17 -43.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 151.16 23.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.26 89.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 176.98 -176.04 47.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 555' ' ' GLU . 8.8 t 177.45 -164.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.4 ' N ' ' OG1' ' A' ' 554' ' ' THR . 18.0 mm-40 54.89 88.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 557' ' ' LEU . 0.9 OUTLIER -113.29 -164.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 556' ' ' LYS . 1.1 mt 36.53 92.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 3.4 pt -130.82 167.92 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 12.0 t -64.6 141.14 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 561' ' ' ALA . 0.0 OUTLIER 61.15 103.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -127.88 117.81 22.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.21 -83.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -123.61 -75.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -76.99 -177.07 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -79.71 -80.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.746 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 444' ' ' SER . 4.8 t-160 170.5 127.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 443' ' ' HIS . 24.7 p -72.1 152.6 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.782 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.03 173.1 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -123.86 -78.37 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 54.34 67.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.001 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -169.45 93.02 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.32 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.98 164.6 35.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.775 2.317 . . . . 0.0 112.573 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 179.34 128.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' A' ' 533' ' ' TRP . 7.1 t80 -83.97 109.12 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.378 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.606 ' CG1' ' CZ2' ' A' ' 533' ' ' TRP . 11.3 p -97.29 48.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.482 0.658 . . . . 0.0 110.475 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.425 ' OG ' ' OE2' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -37.71 144.88 0.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.946 . . . . 0.0 113.134 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.79 31.53 78.57 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.537 HG23 ' CG1' ' A' ' 452' ' ' VAL . 30.6 m -121.47 2.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.965 0.882 . . . . 0.0 110.986 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.581 HD12 ' CZ2' ' A' ' 533' ' ' TRP . 3.0 mm -81.76 92.49 2.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 497' ' ' PHE . 48.0 t -80.24 109.07 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.503 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 27.8 tttm -76.45 122.48 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.536 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.443 ' HB ' ' SG ' ' A' ' 493' ' ' CYS . 2.7 mt -113.19 123.05 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 111.522 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.74 134.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.051 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 460' ' ' ILE . 1.4 p -123.32 -161.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.964 0.411 . . . . 0.0 111.171 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 25.7 p -117.0 -16.62 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.94 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 3.1 mt-10 160.43 -48.67 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 82.3 Cg_exo -40.2 -26.0 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -39.73 100.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.402 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.57 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 18.3 Cg_endo -58.54 -45.47 29.9 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.917 2.411 . . . . 0.0 112.711 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.456 ' O ' HG21 ' A' ' 471' ' ' VAL . . . 153.41 -175.07 31.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.384 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 2.3 ptp180 -61.92 -39.07 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.899 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 10.4 mttt -62.42 -43.86 97.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.336 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.57 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 7.3 mm-40 -77.69 -44.24 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' A' ' 474' ' ' THR . 72.2 t -62.62 -44.36 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.262 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 3.7 ptm180 -63.28 -44.85 93.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.062 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 5.6 t70 -63.25 -40.94 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 477' ' ' ALA . 5.9 p -61.47 -82.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.524 ' CD1' ' CG2' ' A' ' 481' ' ' VAL . 3.4 pp -42.33 -40.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -68.8 -25.87 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.04 -29.53 63.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.957 0.408 . . . . 0.0 110.606 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.77 -31.99 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.598 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.2 OUTLIER -162.56 163.92 27.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.737 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.22 112.55 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 497' ' ' PHE . 1.4 m -105.08 146.1 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 24.2 tp -62.15 -76.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 483' ' ' TYR . 6.7 t80 -147.52 141.72 26.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 484' ' ' VAL . 5.9 p -100.45 114.09 38.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -100.83 87.85 3.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -84.55 130.99 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.673 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 486' ' ' LEU . 0.2 OUTLIER -64.67 86.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.943 0.401 . . . . 0.0 110.752 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.7 OUTLIER -35.62 121.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.341 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.99 77.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.703 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' A' ' 492' ' ' GLU . 0.5 OUTLIER -130.12 150.29 51.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.17 -179.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 1.1 p -81.99 13.56 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.552 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.457 ' HG3' ' OD1' ' A' ' 490' ' ' ASP . 0.5 OUTLIER -126.01 129.47 49.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.442 . . . . 0.0 111.219 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 486' ' ' LEU . 3.8 p -125.94 141.98 51.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.569 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.503 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 2.3 m80 -122.45 106.68 11.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.455 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -92.12 134.58 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.046 0.45 . . . . 0.0 111.769 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.546 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 1.4 mtm180 -92.95 132.0 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.239 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.57 ' CD1' HG11 ' A' ' 481' ' ' VAL . 1.8 m-85 -107.73 140.7 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.18 -17.25 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.746 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.32 150.77 32.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.013 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.08 -36.27 4.46 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.801 2.334 . . . . 0.0 112.574 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.59 -36.01 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.258 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.5 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.09 90.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.564 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.495 ' O ' HG13 ' A' ' 507' ' ' ILE . 42.6 tt0 -55.66 -40.22 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.555 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.64 93.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.89 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.95 -42.99 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.52 HD11 ' N ' ' A' ' 508' ' ' ASN . 2.6 pp -64.4 -31.96 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.317 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.52 ' N ' HD11 ' A' ' 507' ' ' ILE . 69.8 m-20 -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.93 -25.86 53.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.746 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.471 ' CE1' ' CE3' ' A' ' 519' ' ' TRP . 0.3 OUTLIER -62.39 -12.59 22.33 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.468 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 60.1 p -54.64 -34.69 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' LYS . 0.6 OUTLIER -58.8 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 512' ' ' GLU . 3.8 mm -38.29 -44.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -50.32 -32.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.586 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 512' ' ' GLU . 11.9 mmtm -48.53 -24.07 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.12 0.486 . . . . 0.0 110.561 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -119.5 -44.23 2.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.973 179.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 6.1 m-70 -150.12 127.76 11.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.636 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.8 p -63.55 116.54 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.471 ' CE3' ' CE1' ' A' ' 510' ' ' TYR . 0.2 OUTLIER -118.85 144.71 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.265 0.555 . . . . 0.0 111.363 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.568 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 0.4 OUTLIER -108.67 135.68 49.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.125 -179.598 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 521' ' ' LEU . 0.3 OUTLIER -136.94 113.58 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.841 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -126.34 124.12 39.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . 0.507 HD12 ' CG2' ' A' ' 507' ' ' ILE . 4.9 mp -88.8 117.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 2.9 mt -62.7 139.83 58.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.487 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 0.1 OUTLIER -143.4 161.31 38.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 -179.281 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 53.17 -157.61 4.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.25 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 530' ' ' GLN . 6.2 m-20 -40.65 -30.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.667 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -46.27 82.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.487 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 13.4 pt-20 -66.73 -45.94 77.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.999 0.428 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -64.7 -31.58 72.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.505 179.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.526 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -62.69 -53.46 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.235 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.584 ' CE2' ' CE ' ' A' ' 535' ' ' LYS . 7.5 t80 -61.18 -43.77 98.36 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 110.76 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.606 ' CZ2' ' CG1' ' A' ' 452' ' ' VAL . 45.6 m95 -61.85 -39.9 93.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.478 ' HG3' ' NE2' ' A' ' 530' ' ' GLN . 3.8 mm-40 -57.12 -42.4 80.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.325 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.584 ' CE ' ' CE2' ' A' ' 532' ' ' TYR . 2.0 pttp -63.0 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.963 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 535' ' ' LYS . 59.5 mt -57.49 -68.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.108 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.58 -46.0 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.82 -38.88 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -64.1 -38.45 91.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.475 ' HG3' ' CE ' ' A' ' 543' ' ' LYS . 4.3 mpt_? -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.689 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -63.07 -42.51 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.947 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.92 84.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 540' ' ' ARG . 0.0 OUTLIER -62.28 -33.77 75.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.033 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 543' ' ' LYS . 0.2 OUTLIER -53.5 -35.88 61.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.71 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.419 ' O ' ' HD3' ' A' ' 547' ' ' PRO . 0.2 OUTLIER 178.53 85.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.051 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 0.9 OUTLIER -74.02 111.95 14.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.766 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 545' ' ' ASN . 89.2 Cg_exo -46.34 121.68 4.84 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 549' ' ' GLU . 0.1 OUTLIER -93.53 143.73 26.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 548' ' ' ARG . 0.0 OUTLIER 161.68 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.686 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.7 122.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.51 -169.18 1.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.442 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.88 85.84 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -71.98 -94.56 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.136 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 38.9 p -80.71 -27.69 36.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 557' ' ' LEU . 0.5 OUTLIER 76.61 132.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.023 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.28 64.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.702 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 557' ' ' LEU . 0.7 OUTLIER -79.94 64.44 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 557' ' ' LEU . 0.3 OUTLIER 38.62 52.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.04 114.83 22.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 561' ' ' ALA . 1.3 ttmm -129.83 95.64 4.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.019 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.843 0.354 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 2.1 m80 63.98 44.85 4.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -70.74 -58.02 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 67.84 90.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.782 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -74.49 75.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.04 75.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 444' ' ' SER . 1.8 t-80 -79.66 55.52 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.761 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 443' ' ' HIS . 0.4 OUTLIER -35.25 154.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.04 176.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -58.61 -163.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.038 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 13.4 t -179.83 135.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -164.14 -129.35 1.03 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.678 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.73 87.64 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.455 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 51.06 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.604 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 45.2 p90 -45.3 105.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.084 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 452' ' ' VAL . 4.0 m -40.24 96.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.607 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.7 p -72.88 16.54 0.15 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 27.7 31.57 0.01 OUTLIER Glycine 0 C--N 1.336 0.566 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.607 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.2 OUTLIER 40.01 101.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.354 0.577 . . . . 0.0 111.509 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.48 HD12 ' CZ2' ' A' ' 533' ' ' TRP . 48.4 mm -81.03 126.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.978 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.584 ' CG1' ' CD2' ' A' ' 521' ' ' LEU . 77.2 t -113.67 106.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.815 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.69 119.25 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.792 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.01 125.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.677 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.54 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.11 135.14 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.513 ' HB3' ' NE1' ' A' ' 519' ' ' TRP . 28.4 p -124.59 -166.19 1.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.107 0.48 . . . . 0.0 111.036 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.41 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.3 p -123.02 -14.05 7.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.61 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 0.0 OUTLIER 167.44 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 70.7 Cg_exo -38.18 -27.12 0.1 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.677 2.251 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.466 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -39.76 101.9 0.25 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.055 0.455 . . . . 0.0 110.574 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.5 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 52.0 Cg_endo -69.08 -43.53 3.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 123.138 2.559 . . . . 0.0 113.179 -179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 471' ' ' VAL . . . 155.02 -179.35 31.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.301 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 11.5 ptt180 -61.9 -42.64 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 111.075 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.4 OUTLIER -63.35 -45.53 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 111.096 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.5 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 20.3 mm-40 -75.36 -43.72 48.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.757 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 467' ' ' GLY . 96.6 t -62.98 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.383 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 9.3 ptm180 -62.71 -40.19 96.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.119 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.519 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 13.8 t70 -66.47 -35.18 79.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.546 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.475 ' O ' HG12 ' A' ' 478' ' ' ILE . 0.6 OUTLIER -66.76 -58.97 4.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.237 0.542 . . . . 0.0 110.793 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.527 ' CD1' HG22 ' A' ' 481' ' ' VAL . 2.1 pp -62.17 -40.08 94.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.874 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.11 -24.74 65.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.267 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.17 -29.97 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.589 HG13 ' CE2' ' A' ' 510' ' ' TYR . 4.5 mm -80.61 -32.4 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.1 OUTLIER -170.63 160.94 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.78 117.33 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 497' ' ' PHE . 29.3 m -107.07 161.34 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.97 -67.61 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.755 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -145.41 141.91 28.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.28 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.0 p -106.81 122.23 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 493' ' ' CYS . 1.5 t0 -97.3 131.66 43.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.418 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 493' ' ' CYS . 0.9 OUTLIER -129.51 126.91 39.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.301 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 114.67 22.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 111.27 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 42.23 27.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.446 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 490' ' ' ASP . . . 68.3 5.9 44.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.652 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 489' ' ' GLY . 6.4 t0 -53.68 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.407 ' HA ' HD12 ' A' ' 465' ' ' LEU . 24.8 p -95.8 12.52 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 492' ' ' GLU . 4.4 pm0 -125.76 119.34 27.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.113 0.482 . . . . 0.0 111.531 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 485' ' ' ASP . 0.1 OUTLIER -137.93 148.33 45.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.386 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 8.3 m80 -124.52 105.95 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -87.05 133.89 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.494 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.573 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -95.12 131.2 41.39 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.654 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.537 ' CZ ' HG11 ' A' ' 481' ' ' VAL . 1.8 m-85 -109.34 153.58 23.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.759 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.59 -19.6 41.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 3.0 p -138.51 151.92 70.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.975 0.417 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' ' 455' ' ' VAL . 61.9 Cg_endo -75.28 -36.97 2.1 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.882 2.388 . . . . 0.0 112.587 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.35 -39.75 91.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -39.43 92.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.987 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.455 ' O ' HG11 ' A' ' 506' ' ' VAL . . . -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -61.85 -42.35 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.37 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.982 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.455 HG11 ' O ' ' A' ' 503' ' ' ALA . 5.8 p -68.64 -42.92 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.524 HD11 ' N ' ' A' ' 508' ' ' ASN . 2.6 pp -64.79 -33.62 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.34 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.524 ' N ' HD11 ' A' ' 507' ' ' ILE . 47.2 m-20 -70.35 -40.68 73.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.185 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.25 54.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.651 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.629 ' CD1' ' CD1' ' A' ' 521' ' ' LEU . 0.1 OUTLIER -66.05 -18.51 65.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 4.6 t -49.08 -37.67 22.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.287 0.565 . . . . 0.0 109.731 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 515' ' ' LYS . 7.2 mm-40 -65.28 -26.17 67.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.061 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.58 HG13 ' CG ' ' A' ' 510' ' ' TYR . 3.2 mm -40.65 -39.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.047 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.34 -28.54 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.431 ' HD2' ' HB3' ' A' ' 512' ' ' GLU . 0.1 OUTLIER -54.85 -27.48 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.6 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -111.27 -46.93 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.359 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.2 m-70 -156.18 129.85 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.486 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . 0.425 ' SG ' ' CE ' ' A' ' 520' ' ' LYS . 48.1 t -54.23 119.31 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.111 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.513 ' NE1' ' HB3' ' A' ' 461' ' ' SER . 0.3 OUTLIER -140.29 143.49 35.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.278 0.561 . . . . 0.0 111.38 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 2.0 mmtp -109.08 131.3 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.314 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.629 ' CD1' ' CD1' ' A' ' 510' ' ' TYR . 0.4 OUTLIER -129.12 114.6 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.53 140.6 47.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.252 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 9.0 mt -97.47 120.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.6 OUTLIER -64.96 143.58 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.995 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 162.71 39.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.411 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 53.94 -165.5 2.33 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.909 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 2.2 m-20 -38.63 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 526' ' ' GLY . 0.2 OUTLIER -64.39 -46.59 82.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 2.6 tt0 -67.46 -45.68 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.078 0.466 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.0 pp0? -63.31 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.414 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.3 OUTLIER -56.69 -55.65 31.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.571 ' CD2' ' HE2' ' A' ' 535' ' ' LYS . 24.9 t80 -53.72 -42.05 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.003 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.573 ' CH2' ' HD2' ' A' ' 496' ' ' ARG . 29.5 m95 -60.77 -36.55 79.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.472 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 13.6 mm100 -56.47 -38.85 72.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.571 ' HE2' ' CD2' ' A' ' 532' ' ' TYR . 0.4 OUTLIER -62.55 -41.08 98.68 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.57 178.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.484 HD13 ' CZ ' ' A' ' 496' ' ' ARG . 58.0 mt -64.42 -67.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -43.29 -63.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.43 ' HA ' ' NE2' ' A' ' 541' ' ' GLN . 79.1 t -53.54 -38.58 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 57.6 t0 -63.98 -38.1 89.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.7 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -40.9 98.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 538' ' ' VAL . 40.9 mt-30 -63.37 -42.93 98.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.225 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.727 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -36.17 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.196 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.466 ' O ' HD11 ' A' ' 544' ' ' LEU . 0.4 OUTLIER -57.03 -23.89 49.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.752 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -124.54 66.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.238 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -38.3 122.95 1.09 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.08 -171.02 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.815 2.343 . . . . 0.0 112.504 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.16 61.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.0 162.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -68.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 24.0 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.63 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 111.2 -32.71 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.268 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 53.2 p -141.64 100.82 3.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 111.061 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.19 176.02 7.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.45 126.85 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 558' ' ' ILE . 9.8 mt -89.04 20.58 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 557' ' ' LEU . 29.8 mt 58.24 124.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 559' ' ' THR . 12.9 t -175.48 66.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.416 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.33 143.38 1.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.031 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.82 90.25 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 14.01 14.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.68 150.23 29.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -97.45 -177.95 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.46 123.45 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -97.44 119.66 36.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 445' ' ' ASN . 1.5 m -130.01 139.03 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 444' ' ' SER . 1.2 m-20 83.68 47.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.606 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -99.73 -60.1 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.178 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 24.9 p 55.8 -158.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 115.36 -75.85 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.757 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.89 -175.44 2.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.863 2.376 . . . . 0.0 112.371 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.87 -145.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.519 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 50.3 p90 -52.72 109.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 15.3 m -43.29 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.38 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' SER . . . . . 0.581 ' HB2' ' CD1' ' A' ' 533' ' ' TRP . 1.1 p -72.09 18.32 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 33.0 30.92 0.01 OUTLIER Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.047 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.1 OUTLIER 34.45 86.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.962 -179.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.528 HD11 ' CE2' ' A' ' 533' ' ' TRP . 29.0 mm -63.99 125.7 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.631 ' CG2' ' CE1' ' A' ' 497' ' ' PHE . 10.8 t -112.73 102.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.612 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.402 ' HB2' HD22 ' A' ' 524' ' ' LEU . 66.7 tttt -80.2 118.26 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ILE . . . . . 0.422 ' CD1' HD23 ' A' ' 475' ' ' LEU . 6.3 mt -112.97 124.2 69.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.887 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.583 ' CG2' ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.46 135.71 58.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.444 178.784 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' SER . . . . . 0.45 ' O ' HD11 ' A' ' 460' ' ' ILE . 85.4 p -109.39 171.6 7.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.072 0.463 . . . . 0.0 111.505 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.2 p -112.34 17.05 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.729 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' GLU . . . . . 0.583 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 4.2 tt0 156.69 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.151 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 32.4 Cg_exo -58.55 -140.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.789 2.326 . . . . 0.0 112.143 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 464' ' ' PRO . 0.2 OUTLIER 75.62 73.12 0.21 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.342 0.592 . . . . 0.0 110.525 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 18.2 Cg_endo -58.6 -34.34 98.79 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.638 2.892 . . . . 0.0 112.901 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.544 ' O ' ' CG2' ' A' ' 471' ' ' VAL . . . 157.58 176.17 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.098 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 1.7 ptt180 -61.4 -37.87 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.482 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 468' ' ' ARG . 0.5 OUTLIER -62.51 -45.56 92.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 111.414 -179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 32.8 mm-40 -77.4 -43.7 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.56 HG13 ' CZ2' ' A' ' 519' ' ' TRP . 38.9 t -61.33 -43.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 468' ' ' ARG . 20.5 ptt180 -63.23 -43.52 97.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.192 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 50.4 m-20 -63.69 -35.4 80.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 471' ' ' VAL . 0.8 OUTLIER -67.52 -58.7 4.26 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.162 0.505 . . . . 0.0 111.387 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.498 ' CD1' ' CG2' ' A' ' 481' ' ' VAL . 3.2 pp -64.27 -40.69 96.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.112 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -68.83 -25.24 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 473' ' ' ASP . . . -73.33 -30.88 63.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 478' ' ' ILE . 3.7 mt -81.89 -32.11 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.346 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.7 p -166.85 124.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.745 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -46.45 125.39 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.414 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 475' ' ' LEU . 0.5 OUTLIER -115.29 164.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.894 179.638 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' LEU . . . . . 0.461 ' HB3' ' O ' ' A' ' 496' ' ' ARG . 0.4 OUTLIER -76.81 -71.09 0.42 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -147.4 142.11 26.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.436 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 6.2 p -102.86 116.25 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 22.3 t70 -101.4 86.6 3.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 493' ' ' CYS . 2.8 tt -91.39 130.81 37.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 490' ' ' ASP . 4.3 mp -69.94 90.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.997 0.427 . . . . 0.0 110.641 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.6 tt0 -35.59 122.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.068 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 77.97 12.48 84.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 487' ' ' LEU . 11.9 t0 -120.65 160.38 23.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 7.2 p -93.52 12.69 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.462 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.17 41.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.511 . . . . 0.0 111.658 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' CYS . . . . . 0.483 ' HB3' HD11 ' A' ' 486' ' ' LEU . 0.5 OUTLIER -127.19 143.73 51.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' HIS . . . . . 0.451 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 12.7 m80 -125.11 102.04 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.752 0.311 . . . . 0.0 110.758 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.484 ' O ' ' HB ' ' A' ' 457' ' ' VAL . . . -89.88 127.82 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 0.0 111.679 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 482' ' ' LEU . 5.5 mtp180 -84.87 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.505 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 457' ' ' VAL . 2.7 m-85 -102.37 146.21 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.338 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -78.78 -17.17 56.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.5 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' THR . . . . . 0.413 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -139.37 152.0 68.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.457 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.15 -39.15 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.975 2.45 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -37.1 81.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -37.81 87.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.416 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.77 -43.61 83.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 111.247 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . 0.52 ' O ' HG13 ' A' ' 507' ' ' ILE . 16.8 tt0 -62.99 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.22 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.31 92.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.085 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' VAL . . . . . 0.519 HG11 ' N ' ' A' ' 507' ' ' ILE . 11.7 p -68.58 -42.65 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 504' ' ' GLN . 1.2 pt -65.12 -32.4 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.516 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . 0.42 ' N ' HG13 ' A' ' 507' ' ' ILE . 75.0 m-20 -70.21 -40.07 74.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.354 0.597 . . . . 0.0 109.881 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.42 55.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' TYR . . . . . 0.586 ' CD1' ' HG ' ' A' ' 521' ' ' LEU . 0.1 OUTLIER -63.52 -23.26 67.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 66.7 p -49.4 -37.54 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.21 0.528 . . . . 0.0 109.981 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -27.05 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.156 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.561 HG13 ' CG ' ' A' ' 510' ' ' TYR . 15.1 mm -45.52 -39.09 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.712 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.77 -21.8 56.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.579 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -45.45 -24.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . 0.528 ' HG2' ' NE2' ' A' ' 517' ' ' HIS . 1.3 tppt? -130.44 -53.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.664 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' HIS . . . . . 0.528 ' NE2' ' HG2' ' A' ' 516' ' ' LYS . 2.1 m-70 -127.68 110.46 12.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.3 111.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' TRP . . . . . 0.56 ' CZ2' HG13 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -124.22 146.08 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.436 0.636 . . . . 0.0 112.078 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . 0.583 ' HB2' ' CG2' ' A' ' 460' ' ' ILE . 1.9 mmtp -109.52 135.86 49.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.628 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' A' ' 510' ' ' TYR . 0.3 OUTLIER -132.69 124.7 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.376 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.82 133.27 30.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 3.5 mt -94.67 117.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.681 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.508 ' HB2' ' HB ' ' A' ' 456' ' ' ILE . 2.5 mm? -63.18 141.72 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.37 . . . . 0.0 111.095 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.9 t -147.53 162.71 38.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.204 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.39 -154.58 8.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.987 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -30.23 4.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.47 0.176 . . . . 0.0 111.331 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.418 ' HB3' HD11 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -64.29 -46.58 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 11.1 tt0 -67.68 -44.78 76.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.15 0.5 . . . . 0.0 110.405 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.047 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -62.21 -53.12 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.148 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.451 ' OH ' ' HB2' ' A' ' 494' ' ' HIS . 34.8 t80 -54.55 -43.28 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.422 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.581 ' CD1' ' HB2' ' A' ' 453' ' ' SER . 28.6 m95 -62.02 -42.03 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 3.7 mt-30 -50.08 -44.44 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.87 -38.51 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.545 178.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ILE . . . . . 0.556 HD11 ' CZ3' ' A' ' 533' ' ' TRP . 6.6 mt -62.49 -68.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.545 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 35.9 mt -40.05 -59.22 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.593 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.35 -38.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.62 -38.73 92.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.95 0.405 . . . . 0.0 110.251 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -41.2 99.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.227 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 544' ' ' LEU . 2.7 mp0 -62.84 -42.39 99.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.435 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.28 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.49 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 544' ' ' LEU . 14.2 mttt -63.72 -10.5 19.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.863 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 0.6 OUTLIER -37.2 -34.23 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 547' ' ' PRO . 29.9 m120 -108.19 63.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 545' ' ' ASN . 3.8 mt-30 -33.8 93.38 0.06 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 545' ' ' ASN . 77.3 Cg_exo -50.93 99.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.754 2.303 . . . . 0.0 112.55 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.413 ' NH1' ' HD2' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -79.97 110.03 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.82 98.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 551' ' ' LYS . 0.1 OUTLIER -162.46 51.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 550' ' ' LYS . 36.3 mttm 76.14 94.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER -120.63 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 555' ' ' GLU . . . -56.27 -115.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 44.6 52.4 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER 178.38 122.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.98 104.42 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 561' ' ' ALA . 0.7 OUTLIER -102.31 142.19 33.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 32.7 pt -50.41 155.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 561' ' ' ALA . 0.2 OUTLIER 67.1 118.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.012 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 87.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 559' ' ' THR . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 140.99 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -73.32 121.51 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.715 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -61.95 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' A' ' 442' ' ' HIS . 0.1 OUTLIER -166.2 148.32 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' A' ' 441' ' ' HIS . 32.5 p-80 -54.28 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -75.22 105.49 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.1 p -155.64 53.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 38.82 80.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -106.44 -172.72 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 18.9 p -116.61 -158.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -116.2 -116.5 2.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.403 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.46 134.89 21.32 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.47 62.25 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.77 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.564 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 49.4 p90 -82.29 104.15 12.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 451' ' ' PHE . 0.3 OUTLIER -37.53 99.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.472 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.581 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.6 OUTLIER -72.17 18.53 0.08 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.94 31.49 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.456 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 453' ' ' SER . 1.0 OUTLIER 38.43 100.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.905 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.768 HD11 ' CE2' ' A' ' 533' ' ' TRP . 5.4 mm -81.67 125.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.726 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.725 HG21 ' CE2' ' A' ' 497' ' ' PHE . 54.0 t -113.12 107.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.847 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -83.5 118.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 0.0 111.379 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 1.1 mt -113.53 124.4 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.749 HG22 ' HB2' ' A' ' 520' ' ' LYS . 9.7 tp -131.51 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.442 . . . . 0.0 110.786 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.947 ' HB3' HD12 ' A' ' 465' ' ' LEU . 31.3 t -124.78 -164.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.508 ' N ' ' OG ' ' A' ' 461' ' ' SER . 69.6 p -126.45 -6.03 6.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.621 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 0.6 OUTLIER 166.93 -52.94 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.002 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 71.0 Cg_exo -37.77 -33.39 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.002 2.468 . . . . 0.0 112.7 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.947 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.46 97.13 0.12 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.647 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.552 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 41.2 Cg_endo -67.12 -39.56 13.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.086 2.524 . . . . 0.0 113.15 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.89 179.6 28.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.269 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.557 ' HB3' HD22 ' A' ' 486' ' ' LEU . 5.8 ptm180 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.896 0.379 . . . . 0.0 110.784 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 7.7 ptpp? -62.0 -43.49 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.552 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 2.9 mt-30 -78.52 -44.25 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 467' ' ' GLY . 74.4 t -62.1 -43.92 98.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.002 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.642 ' HB3' HG11 ' A' ' 484' ' ' VAL . 6.8 ptm180 -63.07 -44.66 95.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.218 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.483 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 6.1 t0 -61.53 -37.7 84.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.94 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.0 OUTLIER -62.28 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.306 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.597 ' CD1' HG21 ' A' ' 481' ' ' VAL . 0.9 OUTLIER -41.48 -40.9 1.93 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.043 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.1 -26.22 64.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.187 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.67 -30.09 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 mt -82.15 -31.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.9 m -168.1 119.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.568 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 127.14 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.109 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.662 HG12 ' CE1' ' A' ' 497' ' ' PHE . 15.3 m -114.93 164.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.93 -69.05 0.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.721 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -145.31 141.74 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.129 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 472' ' ' ARG . 7.3 p -112.45 117.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -101.84 88.83 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' A' ' 493' ' ' CYS . 0.6 OUTLIER -93.27 130.38 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 487' ' ' LEU . 2.4 mm? -65.41 85.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 110.598 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.6 OUTLIER -35.82 128.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 74.7 12.97 82.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.568 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 487' ' ' LEU . 6.0 t0 -128.33 167.86 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.327 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 460' ' ' ILE . 12.3 p -100.73 12.6 37.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.494 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.515 ' HG2' ' CD1' ' A' ' 460' ' ' ILE . 5.9 mt-10 -123.83 115.3 21.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.314 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.752 ' HB3' HD12 ' A' ' 486' ' ' LEU . 0.8 OUTLIER -122.39 143.41 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.489 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 5.1 m80 -124.79 102.55 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.802 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -87.47 133.14 33.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.076 0.465 . . . . 0.0 111.818 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -96.56 135.66 38.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.725 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.6 m-85 -112.57 157.12 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -83.94 -19.58 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.532 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.8 OUTLIER -133.75 151.11 76.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.958 0.409 . . . . 0.0 111.069 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.0 -38.23 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.818 2.345 . . . . 0.0 112.499 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 502' ' ' ASP . 3.3 pt-20 -60.99 -34.91 75.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.789 ' O ' HG23 ' A' ' 506' ' ' VAL . 8.6 t70 -63.36 -40.82 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 507' ' ' ILE . . . -66.8 -42.96 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.98 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.471 ' O ' HG13 ' A' ' 507' ' ' ILE . 25.7 tt0 -62.38 -43.32 99.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.676 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.35 93.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 502' ' ' ASP . 58.2 t -68.33 -43.59 84.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 111.65 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 1.056 ' HA ' HD23 ' A' ' 521' ' ' LEU . 2.6 pp -65.99 -35.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.268 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.695 ' N ' HD12 ' A' ' 507' ' ' ILE . 12.1 m120 -69.71 -40.22 76.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 0.0 110.141 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.22 -21.18 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.926 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.993 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -62.95 -20.78 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 50.3 p -49.53 -37.22 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 515' ' ' LYS . 67.8 mm-40 -64.93 -31.6 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.073 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.558 HG21 ' CB ' ' A' ' 519' ' ' TRP . 29.9 mm -42.19 -42.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -54.88 -25.85 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.265 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 516' ' ' LYS . 0.1 OUTLIER -53.44 -27.6 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.023 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -116.08 -42.46 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.014 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 1.7 m-70 -155.21 128.82 8.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.93 118.67 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.625 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.2 OUTLIER -138.11 142.65 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.276 0.56 . . . . 0.0 111.534 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.749 ' HB2' HG22 ' A' ' 460' ' ' ILE . 4.2 mmtt -109.52 136.52 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.962 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.056 HD23 ' HA ' ' A' ' 507' ' ' ILE . 7.2 tp -131.72 125.82 32.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -139.78 133.31 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.19 119.59 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 3.8 mm? -64.69 139.07 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 90.2 p -146.05 162.33 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 111.397 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.11 -149.35 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.907 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 3.5 m-20 -51.62 -30.17 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.139 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.439 ' C ' HD12 ' A' ' 524' ' ' LEU . 0.1 OUTLIER -64.31 -46.68 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.969 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 16.6 tt0 -67.86 -45.45 74.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.5 pp0? -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.741 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -58.1 -53.57 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.81 ' HE1' HD11 ' A' ' 536' ' ' ILE . 26.1 t80 -56.91 -43.38 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.768 ' CE2' HD11 ' A' ' 456' ' ' ILE . 33.6 m95 -61.94 -41.7 98.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.366 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 538' ' ' VAL . 1.5 mt-30 -50.05 -42.45 49.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -63.08 -40.14 96.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.895 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.81 HD11 ' HE1' ' A' ' 532' ' ' TYR . 58.9 mt -61.92 -56.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.33 -48.14 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 534' ' ' GLN . 96.8 t -56.23 -39.11 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.548 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.1 -36.57 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.399 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -42.1 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.571 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -43.64 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.329 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.27 -29.03 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 545' ' ' ASN . 0.0 OUTLIER -58.15 -16.1 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 -179.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 543' ' ' LYS . 0.5 OUTLIER -35.64 -33.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.643 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 543' ' ' LYS . 2.2 m120 -82.66 105.87 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.431 ' OE1' ' HD2' ' A' ' 547' ' ' PRO . 42.6 mm-40 -111.05 141.5 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 111.048 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 546' ' ' GLN . 30.1 Cg_endo -63.39 -161.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.822 2.348 . . . . 0.0 111.901 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.18 178.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -95.68 120.81 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -143.34 141.23 30.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.998 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 30.5 mttm 67.25 175.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.21 131.24 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.714 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 138.09 -148.74 20.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 172.32 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.245 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 556' ' ' LYS . 2.6 tm-20 -78.87 83.49 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 28.7 mttp -162.8 124.74 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.22 146.28 44.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.93 78.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.279 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 7.5 p 53.25 22.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt 61.94 83.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.938 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -113.33 -70.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -68.68 144.11 54.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.38 14.65 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 157.11 36.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 443' ' ' HIS . 1.2 p-80 -139.88 40.55 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' O ' ' HB3' ' A' ' 444' ' ' SER . 1.6 t-160 79.02 -52.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 443' ' ' HIS . 29.6 t 66.03 23.18 11.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -135.55 77.5 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -78.58 153.28 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.38 145.28 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 449' ' ' PRO . . . 121.97 -46.86 1.07 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 448' ' ' GLY . 52.0 Cg_exo -54.25 178.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.439 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.18 64.18 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 52.3 p90 -56.33 118.4 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 454' ' ' GLY . 2.7 p -48.82 98.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.569 ' O ' ' NE1' ' A' ' 533' ' ' TRP . 4.2 p -72.66 18.06 0.1 Allowed 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 31.74 30.99 0.01 OUTLIER Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.46 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.761 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.0 OUTLIER 36.04 95.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.953 0.377 . . . . 0.0 111.129 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.712 HD11 ' CE2' ' A' ' 533' ' ' TRP . 28.2 mm -76.7 126.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.254 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 497' ' ' PHE . 55.4 t -112.81 97.47 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.492 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.658 ' HB2' HD21 ' A' ' 524' ' ' LEU . 17.3 tttt -76.99 120.11 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.054 0.454 . . . . 0.0 111.445 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.58 126.38 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.615 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.922 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.07 137.15 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.695 178.691 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.838 ' HB3' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -125.76 -172.1 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.2 p -133.83 14.77 3.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.533 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 1.7 mm-40 156.28 -49.25 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.204 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 88.1 Cg_exo -42.79 -46.22 8.53 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.088 2.526 . . . . 0.0 112.705 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.86 96.49 0.11 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.291 0.567 . . . . 0.0 110.577 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.54 ' HB2' ' HG3' ' A' ' 470' ' ' GLN . 7.6 Cg_exo -73.82 -33.95 5.84 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.58 2.854 . . . . 0.0 112.937 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 158.38 176.07 30.02 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.198 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.2 ptt85 -61.43 -42.56 98.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 472' ' ' ARG . 2.0 ptpt -62.89 -44.21 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.54 ' HG3' ' HB2' ' A' ' 466' ' ' PRO . 11.5 mm-40 -72.49 -43.37 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.3 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 467' ' ' GLY . 96.8 t -64.75 -43.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.591 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.608 ' HA ' HD21 ' A' ' 475' ' ' LEU . 16.9 ptt180 -63.0 -37.83 88.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.522 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.3 OUTLIER -66.39 -39.64 89.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.656 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.81 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -64.67 -52.55 56.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 0.0 110.713 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.889 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.2 pp -63.97 -40.18 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.981 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.515 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.78 -25.23 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.66 62.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.459 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.889 HD13 ' HE2' ' A' ' 510' ' ' TYR . 1.7 mp -80.6 -32.14 12.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.808 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.523 ' HB3' ' CG2' ' A' ' 506' ' ' VAL . 21.1 t -170.76 166.35 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -73.17 111.52 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.747 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.889 HG21 ' CD1' ' A' ' 475' ' ' LEU . 7.4 m -101.19 155.25 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.769 HD12 ' CG ' ' A' ' 498' ' ' LYS . 3.8 tt -78.95 -73.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 483' ' ' TYR . 2.9 t80 -147.71 141.61 25.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.061 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.534 HG13 ' HB2' ' A' ' 495' ' ' ALA . 2.0 t -100.0 123.51 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.639 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 62.0 t0 -100.74 75.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.896 HD22 ' N ' ' A' ' 487' ' ' LEU . 0.2 OUTLIER -88.95 125.96 35.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.225 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.896 ' N ' HD22 ' A' ' 486' ' ' LEU . 12.5 mt -60.2 97.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.698 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -37.25 113.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.49 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.5 13.01 83.13 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.227 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 2.9 t0 -117.83 161.03 20.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 111.224 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.636 ' O ' HD13 ' A' ' 465' ' ' LEU . 74.7 p -92.45 12.45 22.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.17 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.96 120.17 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.716 ' HB3' HD23 ' A' ' 486' ' ' LEU . 1.6 p -129.12 144.95 51.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.474 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 3.9 m80 -123.42 104.23 8.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.669 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.534 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -81.72 130.6 35.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.769 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.788 HH11 HD13 ' A' ' 536' ' ' ILE . 5.1 mtm180 -95.19 133.32 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.473 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 457' ' ' VAL . 2.3 m-85 -110.64 156.48 20.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.769 ' CG ' HD12 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -81.27 -19.73 42.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.779 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.493 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -145.95 150.64 43.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.242 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.761 ' HA ' HG11 ' A' ' 455' ' ' VAL . 60.7 Cg_endo -72.48 -39.04 2.97 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.93 2.42 . . . . 0.0 112.55 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.459 ' HG3' ' OD1' ' A' ' 502' ' ' ASP . 14.5 pt-20 -59.24 -39.32 82.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.542 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 501' ' ' GLU . 2.1 m-20 -63.34 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 507' ' ' ILE . . . -66.35 -38.3 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.628 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.499 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.4 tt0 -61.46 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.137 0.494 . . . . 0.0 110.567 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.52 91.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.788 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.881 HG22 HG22 ' A' ' 478' ' ' ILE . 42.1 t -69.1 -43.18 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.741 HG22 HD21 ' A' ' 521' ' ' LEU . 2.8 pp -65.95 -33.0 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.178 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.638 ' N ' HD12 ' A' ' 507' ' ' ILE . 89.1 m-20 -69.55 -40.08 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.986 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.09 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.727 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 1.075 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -61.28 -20.24 62.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 55.4 p -47.58 -36.2 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.236 0.541 . . . . 0.0 109.908 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.25 -14.73 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.831 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 519' ' ' TRP . 31.4 mm -59.35 -45.92 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.481 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.83 -27.04 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.25 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.84 -22.1 58.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.608 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -116.55 -55.56 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.608 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.1 m-70 -139.11 125.08 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.8 t -51.39 120.27 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.582 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -147.41 147.47 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.317 0.58 . . . . 0.0 111.572 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.922 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.6 OUTLIER -109.57 131.07 55.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.368 -179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.075 HD13 ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -137.94 123.2 19.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.078 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -140.41 140.92 35.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.037 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.528 ' CD1' HG21 ' A' ' 507' ' ' ILE . 29.2 mt -92.71 114.27 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.484 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 458' ' ' LYS . 0.1 OUTLIER -55.47 138.01 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.95 162.26 37.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.313 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.28 -135.85 40.05 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.093 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 15.0 m-20 -62.46 -30.45 71.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 0.0 111.38 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -63.89 -46.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.01 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 2.4 tt0 -67.93 -45.86 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 2.1 pp0? -63.34 -40.34 97.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.4 OUTLIER -60.63 -57.46 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.374 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.872 ' HE1' HD11 ' A' ' 536' ' ' ILE . 39.7 t80 -51.77 -42.8 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.712 ' CE2' HD11 ' A' ' 456' ' ' ILE . 34.7 m95 -61.79 -41.72 98.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 538' ' ' VAL . 68.0 mm-40 -50.24 -44.68 53.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.507 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -63.26 -37.69 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.677 178.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.872 HD11 ' HE1' ' A' ' 532' ' ' TYR . 13.3 mt -62.54 -68.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.929 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.82 -50.69 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 534' ' ' GLN . 77.7 t -53.6 -40.19 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.136 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -38.61 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.138 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -63.17 -40.65 98.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.507 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.573 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.84 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -23.35 66.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.342 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.635 ' O ' HD13 ' A' ' 544' ' ' LEU . 0.2 OUTLIER -63.03 -19.89 64.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.239 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 546' ' ' GLN . 1.4 m-20 -118.38 -77.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 545' ' ' ASN . 0.0 OUTLIER -35.26 107.23 0.32 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 548' ' ' ARG . 56.6 Cg_endo -70.34 105.12 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.783 2.322 . . . . 0.0 112.026 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 60.35 158.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -151.56 170.54 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.41 107.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.795 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.24 -154.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -118.87 -50.03 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 554' ' ' THR . . . 48.38 33.76 12.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.424 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.3 OUTLIER 55.74 117.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.57 94.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.56 -156.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.04 125.87 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pt -130.83 151.74 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 16.5 p -72.12 113.11 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 127.55 32.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.937 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -129.72 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -153.4 -43.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -166.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 147.72 42.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.78 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -104.14 -83.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 443' ' ' HIS . 27.2 t-80 -157.91 52.43 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.7 m -77.14 152.99 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.6 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.627 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 1.2 p30 -99.85 168.32 9.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 445' ' ' ASN . . . 164.86 78.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -170.01 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 49.78 82.1 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 450' ' ' GLN . 51.4 Cg_exo -52.84 158.18 6.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.295 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 449' ' ' PRO . 5.5 tp60 57.45 118.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 452' ' ' VAL . 0.1 OUTLIER -82.35 49.93 1.52 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 452' ' ' VAL . 17.4 m 23.8 84.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 O-C-N 123.561 0.538 . . . . 0.0 111.557 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.0 OUTLIER -71.94 18.72 0.08 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.352 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 31.76 30.59 0.01 OUTLIER Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.507 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.928 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.0 OUTLIER 34.59 90.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.492 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 45.3 mm -72.22 126.93 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 497' ' ' PHE . 53.1 t -112.12 95.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.501 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 51.7 tttt -72.79 116.25 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.402 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.539 HG21 ' CZ2' ' A' ' 519' ' ' TRP . 36.2 mt -113.21 123.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.817 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.56 135.74 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.02 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.885 ' OG ' HD12 ' A' ' 465' ' ' LEU . 79.8 p -117.8 -166.93 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 111.034 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 21.0 p -113.2 -11.27 13.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.4 OUTLIER 157.36 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 77.8 Cg_exo -48.49 -20.77 2.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.777 2.318 . . . . 0.0 112.874 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.885 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.2 OUTLIER -37.77 102.47 0.24 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.672 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.519 ' HB2' ' HG3' ' A' ' 470' ' ' GLN . 20.6 Cg_endo -61.6 -45.31 18.15 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.77 2.313 . . . . 0.0 112.739 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 153.03 -174.87 31.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.593 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.429 ' CB ' HD22 ' A' ' 486' ' ' LEU . 0.1 OUTLIER -62.35 -41.52 98.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.67 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 472' ' ' ARG . 1.7 pttp -61.48 -44.74 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.429 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.519 ' HG3' ' HB2' ' A' ' 466' ' ' PRO . 22.7 mm100 -77.69 -43.67 30.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.656 HG22 ' CH2' ' A' ' 519' ' ' TRP . 52.0 t -64.68 -45.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.642 ' HB2' HG21 ' A' ' 484' ' ' VAL . 0.4 OUTLIER -64.38 -41.98 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.207 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 25.0 t0 -64.79 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.495 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 477' ' ' ALA . 7.7 p -64.09 -77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.437 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 484' ' ' VAL . 1.1 pp -43.68 -41.17 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.631 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.19 -25.92 64.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.001 0.429 . . . . 0.0 110.636 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -70.57 -28.29 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.387 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.58 ' HB ' HG23 ' A' ' 506' ' ' VAL . 6.8 mm -79.97 -30.06 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.413 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.8 t -168.77 161.5 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.396 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.42 119.81 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.07 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.547 HG12 ' CE2' ' A' ' 497' ' ' PHE . 30.7 m -110.94 164.84 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -67.76 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.444 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 3.7 t80 -142.33 139.28 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.508 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.986 HG13 ' HB2' ' A' ' 495' ' ' ALA . 1.7 t -109.96 113.3 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.82 130.35 44.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.773 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.956 HD12 ' HB3' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -131.18 125.31 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.9 mp -61.79 86.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.508 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.0 OUTLIER -34.12 124.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 78.13 6.22 87.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 487' ' ' LEU . 8.2 t0 -120.84 162.42 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 1.3 p -98.06 13.62 30.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.527 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.04 114.77 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.956 ' HB3' HD12 ' A' ' 486' ' ' LEU . 5.4 p -124.71 141.6 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.501 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 4.7 m80 -128.36 116.87 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.4 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.986 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -100.28 135.68 41.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 111.85 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.483 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -91.74 130.65 37.49 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.352 179.239 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.758 ' CE1' HG21 ' A' ' 457' ' ' VAL . 2.4 m-85 -109.01 150.2 28.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.349 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -77.83 -19.31 55.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.575 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.7 OUTLIER -139.86 149.49 59.26 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.043 0.449 . . . . 0.0 111.232 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.928 ' HA ' HG11 ' A' ' 455' ' ' VAL . 73.9 Cg_endo -74.79 -38.24 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.931 2.421 . . . . 0.0 112.589 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.85 -37.3 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.455 ' O ' HG12 ' A' ' 506' ' ' VAL . 54.4 m-20 -61.38 -40.52 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.264 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 506' ' ' VAL . . . -67.17 -42.87 83.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.431 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' OE1' ' ND2' ' A' ' 508' ' ' ASN . 0.7 OUTLIER -62.43 -44.02 97.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.978 0.418 . . . . 0.0 111.066 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.62 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.991 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 478' ' ' ILE . 7.0 p -68.17 -42.85 85.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.65 HG22 ' HB3' ' A' ' 521' ' ' LEU . 2.5 pp -65.83 -32.74 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.514 ' ND2' ' OE1' ' A' ' 504' ' ' GLN . 32.7 m-80 -70.33 -40.28 74.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.302 0.573 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.39 -24.96 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.765 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.462 ' OH ' ' N ' ' A' ' 475' ' ' LEU . 0.2 OUTLIER -62.1 -7.49 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 508' ' ' ASN . 45.2 p -50.06 -37.24 32.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.301 0.572 . . . . 0.0 109.614 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.74 -41.37 67.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.691 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.645 HG21 ' HB2' ' A' ' 519' ' ' TRP . 10.8 mm -40.78 -46.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.109 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -49.11 -32.27 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.479 ' CE ' ' HD2' ' A' ' 516' ' ' LYS . 0.4 OUTLIER -49.4 -24.64 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 -179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -122.38 -38.36 2.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.3 m-70 -153.36 133.54 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 518' ' ' CYS . 30.2 p -70.84 102.59 2.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.656 ' CH2' HG22 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -105.09 148.38 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.207 0.527 . . . . 0.0 111.353 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.795 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.3 OUTLIER -108.85 124.1 50.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.061 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -124.88 123.01 39.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.442 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 522' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 523' ' ' ILE . 12.7 tm-20 -140.07 137.58 34.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.431 ' O ' ' OE2' ' A' ' 522' ' ' GLU . 43.8 mt -93.59 119.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.892 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.0 mm? -63.51 139.87 58.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 8.1 t -148.44 162.46 39.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.34 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.98 -148.37 18.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.035 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 0.6 OUTLIER -54.01 -30.37 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.55 0.214 . . . . 0.0 111.333 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.457 ' C ' HD12 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.805 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 5.6 tt0 -67.17 -44.81 78.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.096 0.474 . . . . 0.0 110.33 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -40.19 97.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -57.27 -54.24 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.82 ' HE1' HD11 ' A' ' 536' ' ' ILE . 36.6 t80 -55.65 -43.51 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.667 ' CE3' HD12 ' A' ' 536' ' ' ILE . 37.4 m95 -62.31 -38.67 90.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 21.2 mm-40 -52.89 -44.17 66.71 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.496 ' HE3' ' CE2' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.29 -39.92 94.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.761 179.083 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.82 HD11 ' HE1' ' A' ' 532' ' ' TYR . 39.4 mt -63.04 -66.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.65 -58.43 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.043 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 534' ' ' GLN . 53.5 t -49.41 -39.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 29.7 t0 -64.64 -38.83 92.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.191 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 543' ' ' LYS . 1.5 mpt_? -62.34 -40.16 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.019 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.15 92.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.234 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.66 83.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 540' ' ' ARG . 0.1 OUTLIER -54.76 -20.77 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.38 -35.45 79.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -136.16 116.8 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -115.11 89.54 20.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.801 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 548' ' ' ARG . 14.4 Cg_endo -57.23 106.58 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.344 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 547' ' ' PRO . 8.2 mmt180 36.12 77.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 51.74 -164.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -120.81 25.13 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 552' ' ' ARG . 3.6 mtmt 80.85 112.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 551' ' ' LYS . 10.3 mtm180 -42.56 170.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' A' ' 555' ' ' GLU . . . -112.57 -94.45 2.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 110.98 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.998 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 553' ' ' GLY . 0.5 OUTLIER -130.49 42.36 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 177.55 4.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 558' ' ' ILE . 5.2 mp -116.07 -54.41 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 557' ' ' LEU . 28.6 mm 76.43 67.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.409 ' O ' ' HE2' ' A' ' 560' ' ' LYS . 4.3 m -120.47 -50.24 2.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.37 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 559' ' ' THR . 0.0 OUTLIER 174.62 94.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 437' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 443' ' ' HIS . 2.4 t-80 -149.35 43.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -105.83 -19.09 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.937 0.399 . . . . 0.0 110.728 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 -6.19 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.041 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 442' ' ' HIS . 1.9 t60 -102.63 34.9 2.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 441' ' ' HIS . 27.2 m170 66.83 87.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 438' ' ' HIS . 0.0 OUTLIER 65.95 -169.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -168.19 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -70.85 147.44 48.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -170.56 68.62 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.56 102.74 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -122.43 -168.45 13.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.617 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.38 143.66 83.32 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.826 2.351 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.7 78.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.94 128.0 36.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.24 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 454' ' ' GLY . 55.1 t -59.17 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -72.23 17.29 0.11 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.81 31.61 0.01 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.87 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.748 HG21 ' C ' ' A' ' 499' ' ' THR . 1.5 t 36.82 96.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.093 0.446 . . . . 0.0 111.357 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 41.2 mm -76.61 125.59 36.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.744 HG21 ' CE2' ' A' ' 497' ' ' PHE . 74.9 t -112.92 109.73 29.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.74 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.484 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 36.2 tttt -86.15 116.23 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.343 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.483 HG21 ' CZ2' ' A' ' 519' ' ' TRP . 23.4 mt -112.88 123.63 68.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.817 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.41 136.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.465 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.791 ' OG ' HD12 ' A' ' 465' ' ' LEU . 90.9 p -121.66 -166.72 1.42 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.012 0.434 . . . . 0.0 110.853 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 0.6 OUTLIER -116.48 -11.12 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.253 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.2 OUTLIER 154.93 -45.16 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 79.7 Cg_exo -45.1 -23.18 0.95 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.866 2.377 . . . . 0.0 112.647 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -39.15 109.95 0.57 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.308 . . . . 0.0 110.546 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.56 ' HB2' ' CG ' ' A' ' 470' ' ' GLN . 22.7 Cg_endo -61.84 -44.25 21.8 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.867 2.378 . . . . 0.0 112.812 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 154.91 -179.28 31.09 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.364 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.896 ' HA ' HD13 ' A' ' 486' ' ' LEU . 0.0 OUTLIER -62.27 -41.34 98.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.069 0.461 . . . . 0.0 110.703 179.22 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.19 -42.17 99.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.044 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.56 ' CG ' ' HB2' ' A' ' 466' ' ' PRO . 22.1 mp0 -76.44 -44.13 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.095 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 465' ' ' LEU . 76.6 t -63.94 -44.34 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.211 0.529 . . . . 0.0 110.005 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 16.7 ptt180 -63.83 -44.09 94.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.013 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 28.1 t70 -63.0 -39.01 93.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.688 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 477' ' ' ALA . 8.8 p -62.86 -76.56 0.06 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 471' ' ' VAL . 0.9 OUTLIER -42.67 -42.17 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.8 64.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.967 0.413 . . . . 0.0 110.806 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -67.78 -28.43 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.632 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.658 HD13 HG23 ' A' ' 506' ' ' VAL . 1.4 mp -80.56 -30.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.404 ' HB3' ' OD2' ' A' ' 502' ' ' ASP . 4.3 m 179.93 146.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 122.62 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 497' ' ' PHE . 35.5 m -103.8 177.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.137 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 496' ' ' ARG . 8.9 tp -88.86 -29.04 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' A' ' 482' ' ' LEU . 2.5 t80 162.54 137.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.39 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 484' ' ' VAL . 9.5 p -90.0 119.35 36.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 494' ' ' HIS . 3.1 t0 -101.52 71.02 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.353 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.896 HD13 ' HA ' ' A' ' 468' ' ' ARG . 1.7 tt -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.816 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.702 HD13 ' HG3' ' A' ' 492' ' ' GLU . 0.3 OUTLIER -63.42 91.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 487' ' ' LEU . 6.8 pt-20 -33.59 124.71 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 72.54 8.71 72.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.936 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.509 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 7.6 t0 -113.9 165.22 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.69 12.43 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.307 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.702 ' HG3' HD13 ' A' ' 487' ' ' LEU . 15.1 pt-20 -125.75 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.649 ' HB2' HD12 ' A' ' 486' ' ' LEU . 1.7 t -123.84 143.44 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.806 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.502 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 24.9 m80 -127.34 108.79 11.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.347 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -94.69 132.05 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.22 0.533 . . . . 0.0 112.298 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.616 ' HB2' HD23 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -92.65 135.82 33.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.729 179.039 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.744 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.7 m-85 -115.97 157.41 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -81.28 -19.37 43.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.748 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -135.8 152.5 76.04 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.257 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.553 ' HA ' HG11 ' A' ' 455' ' ' VAL . 72.9 Cg_endo -76.84 -38.26 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.15 -33.77 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' A' ' 479' ' ' SER . 17.0 t0 -62.64 -42.89 99.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -64.96 -42.76 94.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.4 OUTLIER -62.68 -38.68 91.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.7 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.658 HG23 HD13 ' A' ' 478' ' ' ILE . 4.3 p -68.99 -43.76 81.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.73 0.3 . . . . 0.0 111.71 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.872 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.0 OUTLIER -66.19 -34.2 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.571 ' O ' HG22 ' A' ' 511' ' ' THR . 89.6 m-20 -70.19 -40.68 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.242 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.03 53.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.583 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -60.99 -11.4 8.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.506 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 508' ' ' ASN . 0.0 OUTLIER -50.49 -36.98 36.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.246 0.546 . . . . 0.0 109.667 179.335 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -17.89 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.732 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.651 HG21 ' HB2' ' A' ' 519' ' ' TRP . 3.0 mm -57.68 -44.75 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.693 0.282 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -50.68 -29.93 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.305 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -45.63 -26.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 517' ' ' HIS . 1.2 tppt? -121.58 -49.02 2.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.712 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 516' ' ' LYS . 0.9 OUTLIER -145.04 132.04 20.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.555 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.26 116.78 7.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.708 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.651 ' HB2' HG21 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -119.33 148.55 43.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.355 0.598 . . . . 0.0 111.642 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.898 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.0 OUTLIER -109.39 132.46 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.899 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.898 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.4 OUTLIER -134.47 122.95 23.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.919 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -140.14 136.11 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 19.3 mt -95.74 119.4 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.5 mm? -63.23 143.23 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.506 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 17.6 p -147.6 161.98 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 111.726 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 51.68 -149.8 8.17 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.797 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -48.87 -30.99 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.617 0.246 . . . . 0.0 110.921 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -45.57 87.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.514 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 3.8 pt-20 -67.19 -44.85 78.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.23 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 1.5 tt0 -63.43 -38.67 92.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.704 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.3 OUTLIER -60.15 -56.45 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.889 ' HE1' HD11 ' A' ' 536' ' ' ILE . 19.9 t80 -53.54 -43.7 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.685 ' O ' HD12 ' A' ' 537' ' ' LEU . 39.0 m95 -62.8 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.452 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 30.3 mm-40 -50.56 -45.01 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.608 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 0.1 OUTLIER -62.84 -38.51 91.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.97 179.002 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.889 HD11 ' HE1' ' A' ' 532' ' ' TYR . 11.4 mt -61.84 -56.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.464 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 533' ' ' TRP . 1.1 mp -59.88 -59.01 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.48 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 534' ' ' GLN . 79.0 t -47.29 -39.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.741 0.305 . . . . 0.0 111.017 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 543' ' ' LYS . 10.7 t0 -64.87 -38.58 91.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.985 0.422 . . . . 0.0 110.061 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -62.25 -40.45 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.183 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.44 98.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.181 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.37 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.373 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 539' ' ' ASP . 31.7 mmtp -45.09 -26.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.858 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.99 -33.04 70.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 546' ' ' GLN . 3.0 m-20 -103.24 164.73 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.581 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' A' ' 545' ' ' ASN . 1.9 tt0 49.86 104.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.897 0.379 . . . . 0.0 110.699 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.28 118.23 5.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.742 2.294 . . . . 0.0 112.539 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.65 107.8 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.15 -179.4 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.7 mttt 62.88 118.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.237 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 39.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.625 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.24 126.51 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 92.54 -17.82 56.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.76 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.92 121.08 39.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 111.174 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -90.87 139.87 30.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -152.58 126.55 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.093 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.54 -179.61 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 53.2 mt 65.11 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.89 166.99 13.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -70.2 -68.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.94 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 437' ' ' MET . . . . . 0.404 ' C ' ' CG ' ' A' ' 438' ' ' HIS . 12.1 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.836 0.351 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 437' ' ' MET . 14.0 m80 -154.81 72.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 174.6 148.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.784 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 44.88 58.56 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -46.49 107.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -37.86 108.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -62.96 -52.2 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 446' ' ' ALA . 0.1 OUTLIER 60.01 161.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.95 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 34.8 m-20 35.53 -91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 444' ' ' SER . . . 72.41 -158.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 19.5 p -135.41 123.35 22.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 103.88 137.92 9.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.14 170.78 18.22 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.848 2.365 . . . . 0.0 112.405 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -157.94 103.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.593 ' CD1' ' CG ' ' A' ' 533' ' ' TRP . 24.5 p90 -80.97 130.99 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.012 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.744 ' CG2' HG11 ' A' ' 455' ' ' VAL . 5.8 p -53.02 94.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.405 0.621 . . . . 0.0 110.609 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -70.39 145.01 51.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.066 -178.63 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.3 31.71 79.86 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 115.207 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.744 HG11 ' CG2' ' A' ' 452' ' ' VAL . 18.8 m -124.29 9.91 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 117.509 0.654 . . . . 0.0 110.756 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.811 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 3.6 mm -90.05 96.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.759 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 457' ' ' VAL . 2.9 p -83.21 113.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.569 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 494' ' ' HIS . 76.3 tttt -78.3 123.72 27.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.981 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.48 121.09 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.903 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.06 135.79 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.769 178.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.627 ' O ' HD13 ' A' ' 460' ' ' ILE . 25.8 p -123.24 -161.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 30.4 p -118.21 -10.58 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.32 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.554 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.5 OUTLIER 155.31 -45.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 99.9 Cg_exo -43.34 -26.67 0.99 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.804 2.336 . . . . 0.0 112.894 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -37.72 96.51 0.11 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 110.449 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.543 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 11.0 Cg_endo -54.84 -42.5 68.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.923 2.415 . . . . 0.0 112.826 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 152.68 -174.43 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.581 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -41.17 97.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.32 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.34 96.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.758 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.543 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 64.0 mm-40 -76.09 -43.85 41.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.486 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 465' ' ' LEU . 75.3 t -65.71 -44.52 93.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 111.035 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.446 ' CB ' HG11 ' A' ' 484' ' ' VAL . 8.4 ptm180 -63.32 -45.21 92.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.576 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 0.3 OUTLIER -65.2 -33.02 75.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.588 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.2 OUTLIER -65.85 -82.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.757 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.468 HD12 HG21 ' A' ' 481' ' ' VAL . 1.1 pp -42.99 -40.99 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.931 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 472' ' ' ARG . . . -69.09 -26.03 64.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -72.67 -28.11 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.634 HG21 ' HA ' ' A' ' 506' ' ' VAL . 2.0 mp -77.76 -32.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.819 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 71.2 m -167.36 168.21 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.014 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 497' ' ' PHE . 18.0 m -96.65 153.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -72.97 0.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.464 ' CD2' ' C ' ' A' ' 483' ' ' TYR . 5.2 t80 -143.72 132.19 22.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.379 . . . . 0.0 111.992 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.7 p -95.58 119.69 43.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -97.98 131.68 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.562 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.446 HD23 ' HA2' ' A' ' 489' ' ' GLY . 0.1 OUTLIER -125.14 123.87 40.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.224 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 490' ' ' ASP . 12.8 mt -79.23 104.74 10.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.287 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 48.44 33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' GLY . . . . . 0.446 ' HA2' HD23 ' A' ' 486' ' ' LEU . . . 65.56 12.75 57.2 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.676 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 487' ' ' LEU . 2.1 t0 -62.41 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.735 0.302 . . . . 0.0 110.797 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.552 ' CA ' HD13 ' A' ' 465' ' ' LEU . 60.4 p -99.99 12.57 36.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.01 111.22 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 141.01 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.526 ' HB3' ' CG2' ' A' ' 456' ' ' ILE . 5.5 m80 -120.07 103.53 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.788 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -83.73 127.96 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 0.0 111.858 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.4 OUTLIER -89.94 130.16 36.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.425 179.478 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 481' ' ' VAL . 2.3 m-85 -109.01 149.51 29.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 111.557 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -18.77 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.528 ' C ' HG12 ' A' ' 455' ' ' VAL . 1.7 p -151.76 151.7 28.86 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.55 ' N ' HG12 ' A' ' 455' ' ' VAL . 57.8 Cg_endo -71.21 -38.22 5.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.829 2.353 . . . . 0.0 112.201 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 502' ' ' ASP . 3.0 pp20? -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.409 ' OD2' ' OG1' ' A' ' 499' ' ' THR . 1.0 OUTLIER -61.81 -39.75 92.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.988 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -60.54 -33.31 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -61.72 -37.2 83.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.006 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.41 88.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.023 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.634 ' HA ' HG21 ' A' ' 478' ' ' ILE . 2.6 p -67.93 -43.04 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.913 HG22 ' HB3' ' A' ' 521' ' ' LEU . 2.5 pp -65.7 -32.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 0.0 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.502 ' N ' HD12 ' A' ' 507' ' ' ILE . 85.7 m-20 -70.3 -40.62 74.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.299 0.571 . . . . 0.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.6 -26.1 54.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.574 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.518 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -64.57 -12.07 41.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.447 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 40.3 p -50.17 -37.74 36.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.31 0.576 . . . . 0.0 109.834 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.2 -42.52 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 517' ' ' HIS . 44.6 mm -41.48 -46.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -44.29 -32.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.076 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -22.98 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -114.56 -51.35 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.762 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.599 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.6 m-70 -146.97 132.48 18.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.661 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.93 102.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.65 ' CH2' HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -108.21 147.5 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 111.563 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.3 OUTLIER -109.72 135.86 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.397 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.913 ' HB3' HG22 ' A' ' 507' ' ' ILE . 0.6 OUTLIER -134.44 121.77 21.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -139.01 127.55 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 507' ' ' ILE . 2.5 mp -88.73 119.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 2.9 mm? -65.35 141.54 58.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.496 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 1.6 t -144.86 161.59 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.26 -162.15 3.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.497 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 4.6 m-20 -38.85 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 526' ' ' GLY . 0.1 OUTLIER -64.43 -46.11 84.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 5.9 pt-20 -66.77 -45.07 79.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.1 OUTLIER -64.07 -33.04 74.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -62.56 -51.87 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.792 ' HE1' HD11 ' A' ' 536' ' ' ILE . 6.9 t80 -59.76 -43.73 94.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.845 ' CE3' HD12 ' A' ' 536' ' ' ILE . 47.8 m95 -61.07 -35.06 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.193 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.474 ' O ' HG23 ' A' ' 538' ' ' VAL . 18.1 mm-40 -59.57 -42.62 92.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.848 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.612 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 5.5 pttp -62.57 -39.02 92.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.133 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.845 HD12 ' CE3' ' A' ' 533' ' ' TRP . 14.8 mt -55.83 -59.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.745 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' A' ' 541' ' ' GLN . 2.0 mp -53.47 -54.69 33.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 534' ' ' GLN . 90.9 t -53.61 -39.08 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.188 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 543' ' ' LYS . 38.8 t0 -64.64 -39.29 93.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.683 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -40.31 97.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.392 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 537' ' ' LEU . 5.2 mp0 -62.53 -42.29 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 545' ' ' ASN . . . -61.56 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 539' ' ' ASP . 8.3 mttt -60.35 -35.6 76.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.554 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 544' ' ' LEU . 1.3 tp -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.79 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 542' ' ' ALA . 0.9 OUTLIER 51.89 -92.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 50.6 93.14 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.4 ' C ' ' HG2' ' A' ' 548' ' ' ARG . 58.9 Cg_endo -72.14 84.9 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.64 2.226 . . . . 0.0 112.08 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.4 ' HG2' ' C ' ' A' ' 547' ' ' PRO . 4.6 mmm-85 66.47 147.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.55 160.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 56.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.11 114.33 20.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -92.71 -84.98 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -154.78 136.41 5.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 554' ' ' THR . 2.5 p -67.8 -15.83 63.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.969 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -171.21 66.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LEU . 1.4 ttmm -93.39 52.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' LYS . 0.5 OUTLIER 37.04 37.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mp 62.29 149.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 94.7 m -126.52 -77.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 67.62 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.745 0.307 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 -80.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -77.51 179.67 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -167.12 88.75 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.755 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 441' ' ' HIS . 49.3 t-80 -134.46 42.56 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.27 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -64.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.91 112.97 22.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.1 m -49.19 134.97 17.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -112.95 -30.15 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.771 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.63 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 11.6 t -56.48 141.31 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -133.21 88.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.62 71.46 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -130.61 45.04 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.962 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 22.9 p90 -62.9 115.99 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 452' ' ' VAL . 12.5 p -52.96 102.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.279 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.577 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.4 p -72.21 16.92 0.11 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.02 31.51 0.01 OUTLIER Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.815 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 36.48 87.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 117.095 0.448 . . . . 0.0 110.8 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.542 HG13 ' CD1' ' A' ' 532' ' ' TYR . 5.8 mm -71.55 90.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.033 0.444 . . . . 0.0 111.645 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 521' ' ' LEU . 78.4 t -76.21 109.85 10.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.594 ' HB2' HD21 ' A' ' 524' ' ' LEU . 65.4 tttt -85.02 123.51 30.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.33 129.05 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.532 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.829 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.05 135.43 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 111.038 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.901 ' OG ' HD12 ' A' ' 465' ' ' LEU . 82.5 p -123.21 -166.44 1.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.544 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 11.2 p -120.07 -8.26 9.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.377 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.5 OUTLIER 155.89 -45.39 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 76.0 Cg_exo -42.63 -24.87 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.895 2.397 . . . . 0.0 112.731 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.901 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -40.51 107.29 0.46 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.943 0.401 . . . . 0.0 110.575 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.537 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 51.5 Cg_endo -69.44 -44.84 2.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.906 2.404 . . . . 0.0 112.955 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 158.35 -179.65 33.88 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.625 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.7 OUTLIER -61.93 -42.39 99.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.385 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 10.5 ptpt -62.62 -41.58 99.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.537 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 2.4 mp0 -77.25 -43.3 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 467' ' ' GLY . 69.5 t -65.48 -43.77 94.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.067 0.46 . . . . 0.0 110.599 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.607 ' HB3' HG11 ' A' ' 484' ' ' VAL . 9.3 ptm180 -62.63 -44.17 96.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.873 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.648 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 39.8 m-20 -59.91 -38.72 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.282 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.7 OUTLIER -64.93 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.623 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.5 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.5 pp -42.46 -41.7 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.033 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 472' ' ' ARG . . . -69.81 -26.09 64.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.357 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.1 -28.34 62.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.785 HG21 ' HA ' ' A' ' 506' ' ' VAL . 2.5 mp -80.6 -31.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.04 158.71 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -69.82 110.07 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 475' ' ' LEU . 32.6 m -106.67 148.43 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 496' ' ' ARG . 7.8 tp -61.26 -76.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 484' ' ' VAL . 4.0 t80 -145.85 141.85 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.425 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 484' ' ' VAL . 9.9 p -94.54 112.26 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 50.8 t0 -101.33 85.02 2.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 493' ' ' CYS . 5.6 tt -90.25 126.67 35.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.58 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.548 ' HB3' ' CB ' ' A' ' 490' ' ' ASP . 0.1 OUTLIER -63.46 90.31 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.15 0.5 . . . . 0.0 110.478 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.7 mp0 -33.66 125.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.631 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.57 12.37 80.39 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.93 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 2.5 t0 -123.66 159.07 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 111.153 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 465' ' ' LEU . 2.0 p -92.62 12.43 23.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.072 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -121.64 114.9 21.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.066 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.596 ' HB2' HD12 ' A' ' 486' ' ' LEU . 8.3 t -117.07 143.51 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.559 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.467 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 24.4 m80 -127.41 101.29 6.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.768 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -87.53 134.19 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.696 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 482' ' ' LEU . 2.2 mtm180 -90.91 122.83 33.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.957 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 454' ' ' GLY . 3.5 m-85 -99.4 149.94 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.048 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -14.68 57.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.561 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -147.68 152.51 41.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.441 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 455' ' ' VAL . 74.4 Cg_endo -73.57 -39.64 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.862 2.375 . . . . 0.0 112.039 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.66 -35.15 80.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.14 -42.57 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.544 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.46 -38.96 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.238 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.6 tp60 -58.73 -41.34 86.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.411 . . . . 0.0 110.993 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.35 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.012 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.785 ' HA ' HG21 ' A' ' 478' ' ' ILE . 3.3 p -68.66 -43.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.749 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.9 pp -66.08 -34.71 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.592 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 511' ' ' THR . 88.2 m-20 -70.31 -40.13 74.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.27 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 1.035 ' CG ' HD12 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -62.3 -13.34 27.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.373 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 508' ' ' ASN . 34.1 p -54.03 -35.98 62.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.455 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 513' ' ' ILE . 3.6 mm-40 -62.06 -39.87 93.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.691 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 517' ' ' HIS . 28.5 mm -38.66 -43.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -49.2 -32.02 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.92 -36.72 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.535 ' CD ' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -108.6 -53.82 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.535 ' CE1' ' CD ' ' A' ' 516' ' ' LYS . 1.5 m80 -139.29 119.43 13.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.797 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.443 ' SG ' ' CE ' ' A' ' 520' ' ' LYS . 48.3 t -51.72 124.28 12.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.492 ' HE3' HG21 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -139.57 146.13 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.459 0.647 . . . . 0.0 112.05 -179.252 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.829 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.67 134.03 52.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.026 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.035 HD12 ' CG ' ' A' ' 510' ' ' TYR . 0.5 OUTLIER -134.04 117.25 16.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -139.15 142.13 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.008 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 6.3 mt -96.47 119.38 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 458' ' ' LYS . 4.4 mm? -60.07 141.39 55.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 8.6 t -147.75 162.84 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 56.97 -152.77 23.17 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.347 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 17.1 t70 -52.35 -30.56 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.622 0.248 . . . . 0.0 111.123 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.0 86.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.789 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 12.7 tt0 -67.33 -45.49 76.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.06 0.457 . . . . 0.0 110.43 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.495 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 1.3 pp0? -63.38 -36.25 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -61.52 -51.71 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.838 ' HE1' HD11 ' A' ' 536' ' ' ILE . 27.3 t80 -56.36 -43.17 78.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.506 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.537 ' NE1' HG12 ' A' ' 456' ' ' ILE . 40.1 m95 -61.55 -42.06 98.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 46.5 mm-40 -51.58 -44.26 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.906 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -62.8 -40.17 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.168 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.838 HD11 ' HE1' ' A' ' 532' ' ' TYR . 55.2 mt -62.39 -65.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.5 -59.29 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.129 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.31 -39.47 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.997 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 6.9 t70 -64.29 -37.79 88.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.64 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -62.08 -41.51 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -62.98 -42.5 99.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.95 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.369 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -60.56 -17.95 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.592 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 544' ' ' LEU . 3.0 tm? -61.11 -36.2 79.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.979 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -151.77 145.72 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 545' ' ' ASN . 0.1 OUTLIER 38.92 91.44 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.95 82.09 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.884 2.389 . . . . 0.0 112.485 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 127.58 35.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.98 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.99 156.59 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.777 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -150.82 36.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.85 164.52 23.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 163.88 142.51 3.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.286 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.78 136.23 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -138.34 144.47 40.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.61 138.5 37.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.258 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.77 40.59 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.1 106.71 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.298 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.99 166.62 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.54 121.17 43.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.944 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 437' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 438' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.257 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 437' ' ' MET . 14.6 m80 87.41 141.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.009 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 440' ' ' HIS . 7.5 m-70 -123.2 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 439' ' ' HIS . 79.1 t60 70.12 70.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.074 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 442' ' ' HIS . 2.4 p80 -127.83 -40.07 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 441' ' ' HIS . 3.2 t-80 80.58 130.54 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -86.86 71.54 10.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 445' ' ' ASN . 3.2 m -121.26 -44.35 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 444' ' ' SER . 0.3 OUTLIER 166.29 161.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -147.72 40.57 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 6.3 m -169.91 144.84 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 145.71 101.1 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.551 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.45 140.18 64.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.219 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -113.16 21.72 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.992 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 24.1 p90 -78.33 131.62 37.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.788 HG22 ' CG1' ' A' ' 455' ' ' VAL . 11.8 p -48.93 98.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.419 0.628 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.94 145.87 51.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.415 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.516 ' N ' ' OE2' ' A' ' 529' ' ' GLU . . . 66.65 31.86 79.76 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.223 -0.899 . . . . 0.0 114.935 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.788 ' CG1' HG22 ' A' ' 452' ' ' VAL . 10.1 m -109.44 -12.77 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 117.101 0.45 . . . . 0.0 110.703 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.674 HG22 HD23 ' A' ' 524' ' ' LEU . 8.1 mm -79.83 93.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 521' ' ' LEU . 19.7 t -86.9 108.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.844 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.468 ' HB2' HD21 ' A' ' 524' ' ' LEU . 10.9 tttp -74.23 123.88 25.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.165 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 8.4 mt -113.6 128.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.643 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 520' ' ' LYS . 6.8 tp -131.56 133.49 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.3 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.539 ' HB3' ' NE1' ' A' ' 519' ' ' TRP . 6.3 p -126.12 -162.88 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.083 0.468 . . . . 0.0 111.209 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 29.9 p -128.19 1.05 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.384 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 2.7 mm-40 160.84 -49.07 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 77.9 Cg_exo -39.8 -34.53 0.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 112.513 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.527 HD12 ' CB ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -41.28 99.91 0.21 Allowed Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 121.128 0.49 . . . . 0.0 110.719 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.563 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 73.8 Cg_endo -76.18 -41.6 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.151 2.567 . . . . 0.0 113.145 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 157.96 179.66 33.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.343 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 486' ' ' LEU . 0.0 OUTLIER -61.86 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 111.019 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 17.9 ptmt -63.68 -45.42 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.461 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.563 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 20.4 mm-40 -76.08 -43.98 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.372 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.441 HG22 ' CH2' ' A' ' 519' ' ' TRP . 47.6 t -64.3 -41.23 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.285 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.751 ' HA ' HG21 ' A' ' 484' ' ' VAL . 2.7 ptt85 -63.44 -42.68 98.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.351 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.545 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.9 OUTLIER -64.14 -35.37 80.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.8 ' O ' HD12 ' A' ' 478' ' ' ILE . 1.3 p -66.61 -58.02 6.03 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.756 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.9 pp -62.11 -40.12 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.643 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.48 -24.71 64.72 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.221 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.2 -29.72 63.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 474' ' ' THR . 2.2 mp -80.4 -32.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.1 OUTLIER -161.63 159.74 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -73.01 107.13 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.798 HG12 ' CE2' ' A' ' 497' ' ' PHE . 16.2 m -102.23 164.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 482' ' ' LEU . 0.5 OUTLIER -86.01 -70.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.852 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 2.5 t80 -145.38 139.62 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.321 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 472' ' ' ARG . 52.6 t -106.19 115.67 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -100.89 88.03 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.428 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.816 HD12 ' HB2' ' A' ' 493' ' ' CYS . 0.2 OUTLIER -88.07 128.66 35.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.566 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.828 HD22 ' CG ' ' A' ' 492' ' ' GLU . 7.7 mp -62.18 78.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.983 0.421 . . . . 0.0 110.342 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 486' ' ' LEU . 12.0 tm-20 -32.18 128.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.371 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.98 11.01 81.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.757 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 487' ' ' LEU . 7.4 t0 -118.03 177.91 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.993 0.425 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -103.36 4.62 36.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.363 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.828 ' CG ' HD22 ' A' ' 487' ' ' LEU . 16.2 pt-20 -131.12 138.28 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 111.606 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.816 ' HB2' HD12 ' A' ' 486' ' ' LEU . 0.6 OUTLIER -131.16 144.68 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.129 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 494' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -119.05 98.64 6.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.757 0.313 . . . . 0.0 111.282 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.19 130.93 35.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -99.42 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.798 ' CE2' HG12 ' A' ' 481' ' ' VAL . 1.9 m-85 -110.96 148.41 32.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.533 ' O ' HG21 ' A' ' 452' ' ' VAL . 0.0 OUTLIER -67.5 -18.46 65.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.04 152.91 56.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.256 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.58 -37.97 2.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.797 2.331 . . . . 0.0 112.285 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.12 -38.61 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -42.18 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.3 -38.81 88.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.54 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.03 92.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.812 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.693 HG23 ' CG2' ' A' ' 478' ' ' ILE . 6.2 p -68.47 -41.9 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.757 HG22 HD11 ' A' ' 521' ' ' LEU . 1.8 pt -62.57 -30.97 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.531 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.495 ' N ' HG13 ' A' ' 507' ' ' ILE . 28.3 m120 -69.38 -39.38 78.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.384 0.612 . . . . 0.0 109.734 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -75.69 -24.19 56.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.203 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.86 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -52.45 -17.57 1.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.159 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 39.6 p -48.49 -35.81 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.376 0.607 . . . . 0.0 109.46 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.95 -21.86 65.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.633 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.618 HG21 ' HB3' ' A' ' 519' ' ' TRP . 10.0 mm -62.88 -47.14 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 111.416 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -55.87 -30.36 61.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 111.357 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -58.35 -32.21 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -102.87 -52.22 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.0 m-70 -149.99 132.26 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 106.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.618 ' HB3' HG21 ' A' ' 513' ' ' ILE . 1.0 OUTLIER -127.65 139.49 52.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.211 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.78 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.7 OUTLIER -109.72 131.22 55.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.732 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.86 HD13 ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -138.05 109.65 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.789 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -115.92 139.87 49.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.972 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 507' ' ' ILE . 11.6 mt -91.54 120.15 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.705 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.674 HD23 HG22 ' A' ' 456' ' ' ILE . 1.0 OUTLIER -63.55 138.69 58.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.284 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' A' ' 529' ' ' GLU . 0.4 OUTLIER -142.55 160.96 39.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.028 0.442 . . . . 0.0 111.489 -179.132 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 51.05 -152.55 4.98 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.581 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.9 -30.99 0.29 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.807 0.337 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.507 ' CG ' HD12 ' A' ' 524' ' ' LEU . 1.8 t-160 -65.3 -46.63 79.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.516 ' OE2' ' N ' ' A' ' 454' ' ' GLY . 11.1 pt-20 -67.38 -46.17 74.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 121.007 0.432 . . . . 0.0 110.313 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 1.3 pp0? -63.98 -35.7 81.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.417 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.67 -55.85 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.155 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.687 ' HE1' HD11 ' A' ' 536' ' ' ILE . 25.9 t80 -61.73 -43.46 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 110.772 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.809 ' CE3' HD12 ' A' ' 536' ' ' ILE . 20.7 m95 -61.01 -40.51 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.355 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 538' ' ' VAL . 42.6 mm-40 -57.37 -43.95 83.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.161 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.67 -36.32 82.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.048 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.809 HD12 ' CE3' ' A' ' 533' ' ' TRP . 54.0 mt -58.02 -61.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 541' ' ' GLN . 4.0 mm? -49.33 -50.41 39.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 534' ' ' GLN . 65.9 t -56.8 -39.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -38.35 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -62.79 -41.35 99.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.653 179.633 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.492 ' CA ' ' OE1' ' A' ' 541' ' ' GLN . 1.1 mm-40 -62.7 -42.06 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.189 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 543' ' ' LYS . . . -60.64 -36.69 79.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.592 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 540' ' ' ARG . 0.3 OUTLIER -37.06 -34.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.647 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 542' ' ' ALA . 65.0 tp -41.28 -36.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -83.16 91.73 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.18 126.16 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.49 -171.11 1.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.825 2.35 . . . . 0.0 112.294 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 549' ' ' GLU . 4.6 mtt-85 -112.87 -166.52 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 548' ' ' ARG . 0.7 OUTLIER 76.71 82.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 551' ' ' LYS . 0.8 OUTLIER -92.2 165.68 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 550' ' ' LYS . 4.4 mttt 40.03 95.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.022 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -29.19 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 153.19 -66.99 0.32 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 70.5 p -118.54 78.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.277 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.9 146.42 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -131.94 120.74 22.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 154.33 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 559' ' ' THR . 1.0 OUTLIER -78.82 -174.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 558' ' ' ILE . 0.0 OUTLIER -36.6 159.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.22 88.83 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.007 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 437' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 438' ' ' HIS . 1.2 ptt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.79 0.329 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 437' ' ' MET . 0.2 OUTLIER 169.32 -81.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 68.49 51.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -158.09 46.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.91 -177.29 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.046 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -119.64 116.26 25.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -150.8 -44.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.4 p -117.53 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -106.75 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -124.31 45.22 2.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 448' ' ' GLY . 30.0 p -110.62 49.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 447' ' ' THR . . . 53.86 106.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.45 108.92 2.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.84 2.36 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 36.07 77.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.5 ' CD2' ' C ' ' A' ' 451' ' ' PHE . 0.0 OUTLIER -90.3 52.28 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.993 179.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 451' ' ' PHE . 2.7 p 23.2 82.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.616 0.573 . . . . 0.0 111.743 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.9 OUTLIER -72.61 17.32 0.11 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.37 31.09 0.01 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 121.184 -0.531 . . . . 0.0 113.885 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.669 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.3 OUTLIER 32.89 88.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.875 0.338 . . . . 0.0 111.309 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.84 HD11 ' CE2' ' A' ' 533' ' ' TRP . 26.0 mm -71.59 124.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 497' ' ' PHE . 72.0 t -112.8 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.525 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 27.7 tttt -72.97 115.21 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.985 0.421 . . . . 0.0 111.303 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.445 HG12 HD12 ' A' ' 521' ' ' LEU . 33.4 mt -112.23 124.6 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.837 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.813 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.75 133.27 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.359 179.087 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.811 ' OG ' HD12 ' A' ' 465' ' ' LEU . 78.4 p -116.11 -172.85 2.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 111.381 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.0 p -110.89 -14.94 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.766 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.7 OUTLIER 156.01 -45.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 93.6 Cg_exo -43.57 -25.83 0.96 Allowed 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.944 2.429 . . . . 0.0 112.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.922 HD21 HG21 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -37.69 107.57 0.4 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.516 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.547 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 27.8 Cg_endo -62.65 -43.21 22.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.844 2.363 . . . . 0.0 112.772 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.919 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 151.93 -174.69 30.92 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.283 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.589 ' HA ' HD13 ' A' ' 486' ' ' LEU . 12.7 ptt85 -62.8 -41.38 99.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 111.027 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 470' ' ' GLN . 1.8 ptpt -61.55 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.504 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.547 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 8.7 mm-40 -78.44 -43.68 26.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.273 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.922 HG21 HD21 ' A' ' 465' ' ' LEU . 44.0 t -64.03 -44.4 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 0.0 110.334 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 31.4 ptt180 -63.73 -44.03 94.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 1.7 m-20 -61.75 -38.5 88.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.58 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 477' ' ' ALA . 5.2 p -64.95 -79.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.05 0.452 . . . . 0.0 110.62 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.542 ' CD2' HG12 ' A' ' 471' ' ' VAL . 0.6 OUTLIER -43.12 -41.35 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.806 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -69.52 -27.15 64.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.676 ' CG2' HG22 ' A' ' 506' ' ' VAL . 3.1 mp -80.84 -31.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 3.4 t -168.5 173.19 7.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.81 112.35 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.874 HG12 ' CE1' ' A' ' 497' ' ' PHE . 27.1 m -90.76 160.48 2.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 483' ' ' TYR . 13.5 tp -86.48 -30.01 22.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.511 ' HB2' ' O ' ' A' ' 482' ' ' LEU . 3.8 t80 170.76 126.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.887 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.4 p -104.27 112.85 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.401 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -98.52 131.6 44.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.621 HD23 ' HB3' ' A' ' 493' ' ' CYS . 0.7 OUTLIER -129.67 129.87 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.3 mm? -68.49 83.46 0.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.614 0.245 . . . . 0.0 110.398 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 487' ' ' LEU . 9.4 pt-20 -29.06 122.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.41 80.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.835 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 487' ' ' LEU . 3.7 t70 -113.53 158.17 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.6 p -92.72 13.78 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.327 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.94 116.12 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.621 ' HB3' HD23 ' A' ' 486' ' ' LEU . 0.8 OUTLIER -126.91 145.07 50.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.764 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.525 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 26.6 m80 -127.56 107.08 9.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -95.62 121.99 37.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 112.042 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -88.56 143.15 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.018 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.874 ' CE1' HG12 ' A' ' 481' ' ' VAL . 2.1 m-85 -122.63 154.85 37.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.984 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.42 -19.47 42.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.628 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.4 OUTLIER -135.7 151.75 74.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.669 ' HA ' HG11 ' A' ' 455' ' ' VAL . 56.9 Cg_endo -72.49 -34.71 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.846 2.364 . . . . 0.0 112.5 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.4 -39.69 94.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.261 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 506' ' ' VAL . 85.1 m-20 -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.479 ' O ' HG12 ' A' ' 507' ' ' ILE . . . -67.61 -42.64 82.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.52 ' O ' HG13 ' A' ' 507' ' ' ILE . 32.6 tt0 -62.45 -42.02 99.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.04 90.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.672 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 502' ' ' ASP . 40.4 t -68.7 -43.25 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.968 HG22 ' HB3' ' A' ' 521' ' ' LEU . 0.7 OUTLIER -66.7 -37.71 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.367 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 511' ' ' THR . 21.5 m120 -70.94 -41.53 71.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.682 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.76 -25.82 53.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.951 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.488 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.3 OUTLIER -61.73 -11.79 13.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 508' ' ' ASN . 50.9 p -52.38 -35.94 52.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 515' ' ' LYS . 10.1 tt0 -56.85 -31.41 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.171 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 519' ' ' TRP . 7.8 mm -47.81 -46.04 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -46.9 -31.88 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -48.37 -28.47 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.786 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.559 ' CG ' ' NE2' ' A' ' 517' ' ' HIS . 0.1 OUTLIER -120.15 -40.55 2.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.51 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 513' ' ' ILE . 10.4 m-70 -151.23 132.84 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.534 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.496 ' O ' ' NZ ' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -68.89 103.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.672 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -108.01 146.42 32.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.225 0.536 . . . . 0.0 111.119 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 1.067 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -109.37 133.53 52.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.517 -179.346 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.067 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.1 OUTLIER -136.96 121.18 17.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.714 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -139.07 138.42 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.33 115.6 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 524' ' ' LEU . 0.3 OUTLIER -57.86 140.95 50.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 t -145.23 161.87 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 49.31 -154.69 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.615 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 5.8 m-20 -42.57 -30.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 0.0 110.83 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -47.53 79.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.519 ' OE2' ' CB ' ' A' ' 453' ' ' SER . 4.3 tt0 -68.37 -45.13 73.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.563 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 1.2 tt0 -62.96 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.121 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 0.0 OUTLIER -60.58 -54.24 47.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.101 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.92 ' HE1' HD11 ' A' ' 536' ' ' ILE . 28.4 t80 -55.3 -44.1 75.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.03 0.443 . . . . 0.0 110.776 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.84 ' CE2' HD11 ' A' ' 456' ' ' ILE . 31.9 m95 -62.42 -41.08 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 179.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 538' ' ' VAL . 10.9 mm100 -50.75 -44.48 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.61 -40.24 96.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.011 179.279 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.92 HD11 ' HE1' ' A' ' 532' ' ' TYR . 58.4 mt -64.29 -66.64 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.086 0.47 . . . . 0.0 110.916 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.2 mt -48.9 -47.1 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.065 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 534' ' ' GLN . 73.8 t -64.16 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.08 -39.45 93.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.792 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.1 76.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -61.68 -20.42 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -31.01 62.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -119.26 162.32 18.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.258 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 548' ' ' ARG . 3.1 tt0 -169.95 77.99 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.28 73.58 0.08 OUTLIER 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.781 2.32 . . . . 0.0 112.208 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -93.94 76.96 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.729 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.96 62.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 552' ' ' ARG . 0.4 OUTLIER -108.19 24.38 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 45.35 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 550' ' ' LYS . 0.3 OUTLIER -72.08 130.5 41.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.82 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 151.5 -104.79 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.71 -177.55 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -129.77 -163.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -135.61 15.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 166.45 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 559' ' ' THR . 0.0 OUTLIER -125.49 171.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 558' ' ' ILE . 12.6 t 44.75 -172.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.022 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 560' ' ' LYS . 0.0 OUTLIER -81.04 60.78 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.656 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.894 -179.842 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 437' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 437' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.748 0.308 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.54 -52.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.35 178.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -127.35 50.12 2.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.477 ' C ' ' CG ' ' A' ' 442' ' ' HIS . 0.1 OUTLIER -106.52 -159.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 441' ' ' HIS . 7.2 m-70 -157.62 173.62 16.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 445' ' ' ASN . 0.0 OUTLIER -132.43 139.35 47.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 445' ' ' ASN . 9.8 t 50.61 -91.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 11.3 m-80 82.77 -65.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.78 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 445' ' ' ASN . . . 71.89 119.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 1.3 m -97.64 34.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 155.62 80.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.28 96.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.375 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 64.14 67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 36.0 p90 -67.12 116.07 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 452' ' ' VAL . 18.5 m -54.7 104.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.558 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.2 OUTLIER -72.34 18.02 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.425 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 32.43 30.55 0.01 OUTLIER Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.363 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.1 OUTLIER 40.44 103.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.93 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.61 HD11 ' CE2' ' A' ' 533' ' ' TRP . 27.9 mm -92.69 126.13 45.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.238 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 494' ' ' HIS . 57.7 t -112.63 119.12 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.13 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -89.19 116.74 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 14.2 mt -112.15 122.12 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.887 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.1 OUTLIER -131.36 133.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.391 179.22 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.962 ' HB3' HD12 ' A' ' 465' ' ' LEU . 12.6 p -104.07 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.335 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 0.7 OUTLIER -91.32 -13.85 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.985 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 462' ' ' THR . 0.3 OUTLIER 158.81 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 90.3 Cg_endo -83.6 58.33 5.96 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.897 2.398 . . . . 0.0 112.847 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 461' ' ' SER . 1.0 OUTLIER -78.32 124.22 85.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.52 ' HB3' ' HB3' ' A' ' 470' ' ' GLN . 77.7 Cg_exo -46.01 -56.13 3.11 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.591 2.194 . . . . 0.0 112.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 470' ' ' GLN . . . 127.32 141.81 5.43 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.971 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.832 ' HD3' HD22 ' A' ' 486' ' ' LEU . 9.8 ptt85 -29.51 -43.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 4.6 ptmt -63.92 -46.38 85.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 110.773 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 467' ' ' GLY . 51.4 mt-30 -80.02 -43.36 22.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.568 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.651 HG21 HD21 ' A' ' 465' ' ' LEU . 87.9 t -57.94 -44.98 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.091 0.472 . . . . 0.0 110.124 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.564 ' HA ' HG21 ' A' ' 484' ' ' VAL . 13.7 ptt180 -64.19 -45.13 89.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.627 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.552 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.4 OUTLIER -62.44 -39.49 93.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.531 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.6 OUTLIER -62.3 -78.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.864 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.787 ' CD1' HG21 ' A' ' 481' ' ' VAL . 4.1 pp -40.87 -41.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.339 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.621 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.08 -27.33 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.46 -29.35 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.758 HD13 ' HE2' ' A' ' 510' ' ' TYR . 1.6 mp -81.57 -31.91 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.59 155.58 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.18 107.17 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.787 HG21 ' CD1' ' A' ' 475' ' ' LEU . 6.8 m -102.47 165.4 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 482' ' ' LEU . 0.0 OUTLIER -87.65 -68.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -151.18 141.5 22.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.479 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 472' ' ' ARG . 13.6 t -102.82 118.0 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.95 87.87 3.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.832 HD22 ' HD3' ' A' ' 468' ' ' ARG . 9.2 tt -94.01 130.6 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.735 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.766 HD13 ' HG3' ' A' ' 492' ' ' GLU . 1.0 OUTLIER -60.85 99.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.8 tm-20 -35.68 114.31 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.52 13.06 83.04 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.124 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 6.5 t0 -116.05 150.8 36.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 0.0 111.417 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 5.6 p -83.87 13.67 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.34 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.766 ' HG3' HD13 ' A' ' 487' ' ' LEU . 20.7 pt-20 -127.12 131.15 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.529 ' HB3' ' CB ' ' A' ' 486' ' ' LEU . 0.5 OUTLIER -129.65 147.4 51.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.492 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 12.4 m80 -126.59 100.91 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.531 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -88.43 135.56 33.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.192 0.52 . . . . 0.0 111.989 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -98.5 133.58 42.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.049 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.726 ' CE1' HG12 ' A' ' 481' ' ' VAL . 1.4 m-85 -112.57 157.46 21.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -19.26 37.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.44 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.519 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -139.1 151.51 67.95 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 0.0 111.458 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.69 -40.11 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.897 2.398 . . . . 0.0 112.522 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.13 -36.76 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -41.09 98.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.43 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.508 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.24 -43.27 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.023 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.0 tt0 -62.9 -38.62 91.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.2 92.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.94 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 503' ' ' ALA . 6.3 p -69.41 -43.59 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' A' ' 521' ' ' LEU . 0.9 OUTLIER -67.11 -38.1 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.28 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 504' ' ' GLN . 89.3 m-20 -70.14 -40.97 74.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.454 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.3 -22.39 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.501 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.758 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.4 OUTLIER -59.54 -13.16 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.328 -178.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 55.8 p -49.53 -37.18 25.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.279 0.561 . . . . 0.0 109.649 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 515' ' ' LYS . 45.5 tt0 -55.66 -27.35 49.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.394 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.533 HG21 ' HB2' ' A' ' 519' ' ' TRP . 6.5 mm -53.46 -46.87 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -43.38 -32.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.996 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 512' ' ' GLU . 7.7 mttm -46.35 -26.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.335 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.624 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.1 OUTLIER -122.06 -42.12 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.474 179.576 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.624 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 1.7 m-70 -148.68 132.94 17.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.723 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.415 ' O ' ' HE2' ' A' ' 520' ' ' LYS . 0.8 OUTLIER -70.59 90.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.181 179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.533 ' HB2' HG21 ' A' ' 513' ' ' ILE . 0.0 OUTLIER -87.8 149.63 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.527 0.68 . . . . 0.0 112.185 -178.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 1.035 ' O ' HD13 ' A' ' 521' ' ' LEU . 5.5 mmtt -109.29 128.51 55.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.035 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.4 OUTLIER -132.65 124.41 28.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 111.529 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -140.5 136.48 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.557 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 507' ' ' ILE . 2.8 mt -93.53 118.97 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 15.5 mt -56.38 136.65 53.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.56 161.61 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.113 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 52.53 -143.05 23.65 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.65 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -30.06 53.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.642 0.258 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.22 -46.72 82.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.214 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 10.2 tt0 -67.52 -45.98 74.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.724 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 534' ' ' GLN . 1.5 tm0? -63.38 -40.1 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.618 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.31 -56.19 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.864 ' HE1' HD11 ' A' ' 536' ' ' ILE . 35.8 t80 -54.55 -43.92 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.61 ' CE2' HD11 ' A' ' 456' ' ' ILE . 36.5 m95 -62.66 -40.16 96.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.684 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 530' ' ' GLN . 4.9 mt-30 -51.81 -44.04 63.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 539' ' ' ASP . 0.0 OUTLIER -62.98 -39.68 95.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.903 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.864 HD11 ' HE1' ' A' ' 532' ' ' TYR . 13.9 mt -63.12 -66.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -53.84 43.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.123 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.446 ' HA ' ' OE1' ' A' ' 541' ' ' GLN . 51.2 t -53.55 -39.04 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 13.1 t70 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -62.39 -40.91 98.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' A' ' 538' ' ' VAL . 1.4 mt-30 -62.69 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.453 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.12 73.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 539' ' ' ASP . 9.8 mmtt -64.31 -34.76 78.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 544' ' ' LEU . 0.8 OUTLIER -45.91 -24.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.0 95.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.806 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.05 85.93 46.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 548' ' ' ARG . 32.5 Cg_exo -57.52 -151.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.707 2.271 . . . . 0.0 112.197 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 84.39 120.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -124.56 127.75 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -63.58 146.01 54.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -128.38 177.49 6.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -104.05 -11.2 17.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 152.79 -97.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.656 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.2 OUTLIER -135.97 84.62 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.329 . . . . 0.0 111.203 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -125.85 36.56 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 557' ' ' LEU . 0.3 OUTLIER -103.23 153.45 20.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 556' ' ' LYS . 0.9 OUTLIER 36.78 59.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.652 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.45 127.97 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.26 131.85 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 561' ' ' ALA . 0.0 OUTLIER -94.71 74.73 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 439' ' ' HIS . 18.6 m170 -90.52 91.61 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.782 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 438' ' ' HIS . 0.2 OUTLIER 79.95 174.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 441' ' ' HIS . 30.1 m170 -133.78 -50.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 442' ' ' HIS . 21.0 p80 35.2 43.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 441' ' ' HIS . 23.1 p80 -37.22 137.83 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 442' ' ' HIS . 0.0 OUTLIER -35.53 99.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -64.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.55 113.14 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.79 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -87.92 -19.16 27.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 58.15 173.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.038 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 83.23 169.31 44.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.592 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 450' ' ' GLN . 32.1 Cg_exo -58.52 145.8 93.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.851 2.367 . . . . 0.0 112.39 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 449' ' ' PRO . 4.6 tp-100 159.05 95.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 451' ' ' PHE . 6.6 p90 -56.09 112.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.009 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 452' ' ' VAL . 4.7 m -53.64 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.57 ' HB2' ' CD1' ' A' ' 533' ' ' TRP . 0.6 OUTLIER -73.0 17.99 0.11 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 32.37 30.99 0.01 OUTLIER Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.373 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.2 OUTLIER 38.5 95.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.814 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.492 HG22 HD23 ' A' ' 524' ' ' LEU . 23.0 mm -74.84 126.78 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.393 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.793 HG21 ' CE2' ' A' ' 497' ' ' PHE . 37.3 t -112.9 109.2 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.692 ' HB2' HD21 ' A' ' 524' ' ' LEU . 20.1 tttt -87.81 119.61 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.447 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.64 124.38 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.718 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.81 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.69 136.19 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.103 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.676 ' HB3' HD12 ' A' ' 465' ' ' LEU . 24.0 t -125.92 -164.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.052 0.453 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 16.2 p -113.17 -14.51 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.505 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.54 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 2.5 mt-10 157.89 -46.14 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.056 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 72.7 Cg_exo -40.47 -24.99 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.656 2.237 . . . . 0.0 112.572 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -36.62 101.05 0.21 Allowed Pre-proline 0 C--N 1.332 -0.165 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.551 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 19.8 Cg_endo -61.36 -42.86 31.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.869 2.379 . . . . 0.0 112.737 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.88 -177.12 30.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.5 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.07 -40.43 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.408 . . . . 0.0 110.773 179.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.18 -44.4 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.407 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.551 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 8.6 mm-40 -77.0 -43.85 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.55 HG11 ' SG ' ' A' ' 493' ' ' CYS . 79.4 t -64.52 -44.07 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 0.0 110.405 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 13.4 ptm180 -63.13 -42.46 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.85 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.89 -42.67 98.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.388 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 477' ' ' ALA . 2.3 p -61.32 -77.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.892 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.8 pp -42.75 -41.09 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.477 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.24 -26.13 64.64 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -71.54 -29.06 64.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.377 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.942 HD13 HG23 ' A' ' 506' ' ' VAL . 2.7 mp -81.1 -31.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.056 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.4 OUTLIER -162.75 168.63 21.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.361 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -84.3 69.58 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.892 HG21 ' CD1' ' A' ' 475' ' ' LEU . 29.3 m -51.25 148.26 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.248 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -70.27 -75.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.744 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -141.25 130.78 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.5 p -107.72 120.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.048 0.452 . . . . 0.0 111.88 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.5 131.62 47.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.142 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 1.028 HD12 ' N ' ' A' ' 487' ' ' LEU . 0.4 OUTLIER -123.05 130.29 52.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.279 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 1.028 ' N ' HD12 ' A' ' 486' ' ' LEU . 0.1 OUTLIER -69.12 108.11 3.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.834 0.349 . . . . 0.0 111.868 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 34.84 37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.332 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 490' ' ' ASP . . . 68.89 2.23 29.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.45 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 489' ' ' GLY . 5.9 t0 -54.46 -159.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.677 0.275 . . . . 0.0 110.643 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.555 ' CA ' HD13 ' A' ' 465' ' ' LEU . 7.6 p -101.13 7.08 43.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 492' ' ' GLU . 7.6 pt-20 -119.58 111.36 17.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.802 ' HB3' HD13 ' A' ' 486' ' ' LEU . 3.2 p -133.11 147.34 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 8.6 m80 -127.87 118.91 24.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.197 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -101.23 136.05 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 112.185 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.591 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -92.44 131.26 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.182 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.793 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.8 m-85 -108.68 153.57 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.618 ' HB3' HD12 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -82.87 -20.02 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.729 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 1.2 p -139.36 150.06 62.72 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.539 ' HA ' HG11 ' A' ' 455' ' ' VAL . 54.2 Cg_endo -70.03 -35.89 11.04 Favored 'Trans proline' 0 C--N 1.34 0.104 0 C-N-CA 122.9 2.4 . . . . 0.0 112.574 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 502' ' ' ASP . 8.9 pt-20 -61.37 -39.7 91.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.196 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 506' ' ' VAL . 0.6 OUTLIER -59.96 -43.77 94.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.99 83.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.36 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.517 ' O ' HG13 ' A' ' 507' ' ' ILE . 35.3 tt0 -61.95 -43.7 98.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.198 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.991 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.942 HG23 HD13 ' A' ' 478' ' ' ILE . 4.6 p -68.62 -43.52 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.8 pp -64.79 -32.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.363 . . . . 0.0 111.038 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -70.53 -40.22 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.21 -23.41 54.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.987 ' CG ' HD12 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -60.63 -18.98 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 58.0 p -52.17 -37.08 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 515' ' ' LYS . 2.6 mm-40 -56.08 -43.76 78.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.158 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 517' ' ' HIS . 8.1 mm -40.36 -46.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.39 -31.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -55.66 -30.12 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -110.65 -43.06 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.452 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.537 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 4.8 m-70 -154.17 133.32 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.0 m -62.23 107.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.5 OUTLIER -119.98 144.15 47.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.272 0.558 . . . . 0.0 111.61 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.81 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.55 134.26 52.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.541 -179.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.987 HD12 ' CG ' ' A' ' 510' ' ' TYR . 0.6 OUTLIER -137.08 117.32 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.676 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 143.44 37.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 4.0 mt -94.48 120.45 43.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.692 HD21 ' HB2' ' A' ' 458' ' ' LYS . 4.4 mm? -61.06 141.8 57.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.03 162.02 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.039 0.447 . . . . 0.0 111.429 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 52.66 -146.18 17.58 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.881 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.9 m-20 -52.38 -29.76 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.545 ' HB3' HD12 ' A' ' 524' ' ' LEU . 0.1 OUTLIER -63.97 -47.15 81.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.221 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.522 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 3.6 tt0 -68.4 -46.13 70.79 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 111.159 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 3.8 pp0? -63.54 -39.72 95.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.595 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 2.2 tmt_? -57.95 -56.35 23.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.815 ' HE1' HD11 ' A' ' 536' ' ' ILE . 31.2 t80 -53.32 -42.92 67.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.484 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.661 ' CE3' HD12 ' A' ' 536' ' ' ILE . 34.4 m95 -60.99 -40.04 91.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.293 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 538' ' ' VAL . 40.2 mm-40 -52.54 -43.14 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.515 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.33 -40.25 95.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.141 179.304 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.815 HD11 ' HE1' ' A' ' 532' ' ' TYR . 47.7 mt -63.14 -66.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 0.0 110.991 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -58.39 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.515 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 534' ' ' GLN . 99.4 t -50.79 -38.79 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.627 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 28.3 t0 -64.07 -38.79 92.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.995 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -41.53 98.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.82 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -16.05 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.794 ' O ' HD13 ' A' ' 544' ' ' LEU . 3.1 tm? -61.23 -21.38 63.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.296 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 546' ' ' GLN . 0.8 OUTLIER -131.47 -167.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.222 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 545' ' ' ASN . 7.4 mt-30 68.07 53.61 0.61 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 546' ' ' GLN . 88.6 Cg_endo -78.54 96.7 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.795 2.33 . . . . 0.0 112.425 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.57 36.65 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -117.51 84.45 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.11 120.98 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 64.07 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.98 104.39 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 176.58 42.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.73 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.9 t -79.06 -38.43 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -176.72 76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -71.96 57.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.0 mt 58.45 166.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.88 96.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 6.0 t -128.42 155.21 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -57.25 120.52 8.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.957 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 437' ' ' MET . . . . . 0.449 ' O ' ' CB ' ' A' ' 438' ' ' HIS . 4.0 mtt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 437' ' ' MET . 2.2 t60 79.83 176.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.747 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' HIS . . . . . 0.511 ' O ' ' CB ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER -170.54 156.77 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.978 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 439' ' ' HIS . 1.5 t-160 84.08 75.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -106.02 48.5 0.84 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -105.43 -178.53 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -61.13 173.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 -66.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -45.96 162.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -159.01 -152.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 32.2 p -129.57 144.32 51.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -85.49 -141.48 5.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.2 77.72 1.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.03 2.487 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 40.16 47.28 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 6.8 p90 -49.98 121.55 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.363 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.11 113.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.3 OUTLIER -72.25 16.06 0.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.79 31.49 0.01 OUTLIER Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.171 -0.538 . . . . 0.0 113.772 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.593 HG21 ' C ' ' A' ' 499' ' ' THR . 0.8 OUTLIER 40.38 93.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.189 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.623 HD11 ' CE2' ' A' ' 533' ' ' TRP . 16.2 mm -77.9 126.85 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 497' ' ' PHE . 20.6 t -112.93 105.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.374 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 494' ' ' HIS . 17.9 tttt -78.4 120.84 23.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.274 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 1.2 mt -113.25 123.18 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.771 HG22 ' HB2' ' A' ' 520' ' ' LYS . 2.7 tp -132.12 134.01 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.673 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.882 ' OG ' HD12 ' A' ' 465' ' ' LEU . 93.5 p -119.93 -166.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.227 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 52.0 p -120.78 3.02 10.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 2.4 tt0 152.95 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.333 -0.128 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.786 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 99.4 Cg_exo -44.02 -35.76 7.76 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.979 2.453 . . . . 0.0 113.089 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.882 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.07 97.7 0.14 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.815 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.58 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 55.2 Cg_endo -68.8 -37.41 11.84 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 123.18 2.587 . . . . 0.0 112.967 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 155.75 -178.66 32.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.733 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.492 ' HB3' HD22 ' A' ' 486' ' ' LEU . 5.1 ptm180 -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 473' ' ' ASP . 1.2 pttp -62.3 -45.07 94.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.764 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.58 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 2.4 mm-40 -75.82 -43.17 47.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.366 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.688 HG22 ' CZ2' ' A' ' 519' ' ' TRP . 42.3 t -64.48 -44.56 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.734 ' HA ' HG21 ' A' ' 484' ' ' VAL . 5.8 ptt85 -63.28 -42.99 99.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.681 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 4.7 t0 -67.01 -37.25 83.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.9 OUTLIER -62.9 -56.0 21.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.963 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.2 pp -61.26 -40.28 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.091 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.33 -24.92 64.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.59 62.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.983 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 474' ' ' THR . 3.3 mt -81.01 -32.31 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.632 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 2.3 p -165.25 167.83 17.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.77 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -77.11 114.67 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.099 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.963 HG21 ' CD1' ' A' ' 475' ' ' LEU . 0.9 OUTLIER -107.63 169.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 179.58 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.425 HD13 ' CD ' ' A' ' 498' ' ' LYS . 15.6 tp -94.08 -67.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.075 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 2.6 t80 -147.03 141.75 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.442 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.734 HG21 ' HA ' ' A' ' 472' ' ' ARG . 62.4 t -109.99 116.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 15.1 t70 -101.26 92.79 5.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.355 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 493' ' ' CYS . 0.5 OUTLIER -88.34 130.51 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -66.32 100.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.955 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 112.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.55 69.71 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 0.5 OUTLIER -124.95 148.36 48.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.575 ' O ' HD13 ' A' ' 465' ' ' LEU . 35.4 p -81.76 12.84 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.77 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.565 ' HB3' HD13 ' A' ' 460' ' ' ILE . 10.2 pt-20 -128.46 132.12 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.992 0.425 . . . . 0.0 111.513 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.859 ' HB2' HD12 ' A' ' 486' ' ' LEU . 1.4 t -129.38 145.43 51.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.233 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 458' ' ' LYS . 12.6 m80 -127.26 108.43 10.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.53 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -92.41 136.04 33.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.616 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.594 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 9.3 mtm-85 -91.97 130.45 37.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.488 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.526 ' CE2' HG12 ' A' ' 481' ' ' VAL . 2.4 m-85 -105.76 154.16 20.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.425 ' CD ' HD13 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -79.44 -19.34 50.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.648 -179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.593 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.8 OUTLIER -138.29 151.28 69.2 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.584 ' HA ' HG11 ' A' ' 455' ' ' VAL . 66.5 Cg_endo -73.1 -39.27 2.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.872 2.381 . . . . 0.0 112.196 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -36.49 84.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.33 -37.58 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.71 -42.23 86.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.52 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -62.06 -42.32 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.25 90.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.844 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 503' ' ' ALA . 6.1 p -68.67 -43.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.575 ' HA ' HD23 ' A' ' 521' ' ' LEU . 2.4 pp -63.7 -31.78 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 111.065 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.495 ' N ' HD12 ' A' ' 507' ' ' ILE . 29.0 m-80 -69.98 -40.44 75.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.88 -23.08 52.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.053 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.99 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -60.47 -21.63 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.342 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 22.0 p -52.4 -34.5 48.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 513' ' ' ILE . 0.2 OUTLIER -59.73 -44.23 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.601 -179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 517' ' ' HIS . 27.0 mm -37.66 -45.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.66 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -42.58 -31.53 0.46 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.343 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -46.33 -27.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -123.23 -46.57 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.909 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.552 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.1 m-70 -144.01 121.45 11.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.27 110.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.688 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -115.57 148.45 39.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.475 0.655 . . . . 0.0 112.231 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.771 ' HB2' HG22 ' A' ' 460' ' ' ILE . 13.3 mmtp -109.61 128.9 55.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.99 HD22 ' CD1' ' A' ' 510' ' ' TYR . 7.3 tp -132.93 110.44 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -128.18 138.29 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.487 HG12 ' HB1' ' A' ' 503' ' ' ALA . 64.8 mt -91.01 118.8 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.7 OUTLIER -63.07 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.706 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.4 t -147.51 162.59 38.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.087 0.47 . . . . 0.0 111.64 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 56.46 -156.68 11.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.649 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -48.71 -29.72 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.448 ' O ' HD12 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -63.45 -45.51 90.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.753 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 6.4 tt0 -67.07 -45.68 76.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.204 0.526 . . . . 0.0 110.301 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 1.1 pp0? -63.33 -36.47 83.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.331 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -59.85 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.869 ' HE1' HD11 ' A' ' 536' ' ' ILE . 26.5 t80 -55.82 -43.28 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.413 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.623 ' CE2' HD11 ' A' ' 456' ' ' ILE . 52.2 m95 -62.13 -41.89 98.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.829 ' O ' HG23 ' A' ' 538' ' ' VAL . 0.1 OUTLIER -51.54 -44.64 62.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.463 ' HE3' ' CE2' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.5 -37.84 87.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.702 178.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.869 HD11 ' HE1' ' A' ' 532' ' ' TYR . 42.3 mt -59.1 -63.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 537' ' ' LEU . 0.5 OUTLIER -47.98 -53.02 17.46 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 534' ' ' GLN . 49.0 t -51.78 -39.1 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.16 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -41.96 98.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.331 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -43.59 96.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.19 69.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.188 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -14.22 10.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.373 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -33.35 8.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.9 82.33 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.126 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.404 ' HG2' ' HG3' ' A' ' 550' ' ' LYS . 1.2 tp60 74.97 71.03 0.23 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 548' ' ' ARG . 93.0 Cg_endo -80.35 100.89 1.28 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.791 2.328 . . . . 0.0 112.429 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 44.32 -171.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.2 28.46 4.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.639 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 550' ' ' LYS . 13.6 tttp -76.6 1.51 16.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.214 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 24.1 mmmt 67.18 127.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 553' ' ' GLY . 0.0 OUTLIER -53.87 98.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.543 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 552' ' ' ARG . . . -34.13 122.17 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.645 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 7.1 t -79.68 -34.36 40.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -56.31 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.804 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 556' ' ' LYS . 11.1 tptp 48.32 80.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.586 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 558' ' ' ILE . 0.4 OUTLIER -99.83 46.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.225 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 557' ' ' LEU . 1.9 mt -152.35 130.28 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.399 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.32 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -126.44 -70.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.04 179.799 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 2.9 ttp . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -164.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -57.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 158.65 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -39.94 52.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 163.45 24.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t 73.2 137.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -127.16 178.32 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -99.9 77.89 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.08 144.33 49.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -85.09 -120.32 0.96 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.715 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.08 140.84 80.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.971 2.447 . . . . 0.0 112.539 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -146.02 66.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 3.3 p90 -51.99 134.52 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.787 HG13 HG21 ' A' ' 455' ' ' VAL . 4.3 p -66.37 110.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.163 0.506 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.97 144.03 55.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.524 ' CA ' ' OE1' ' A' ' 529' ' ' GLU . . . 65.61 30.67 77.93 Favored Glycine 0 CA--C 1.521 0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 115.19 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.787 HG21 HG13 ' A' ' 452' ' ' VAL . 5.6 m -112.71 0.1 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.456 0.628 . . . . 0.0 110.717 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.599 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 4.6 mm -89.4 91.88 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 523' ' ' ILE . 33.3 t -79.89 107.53 12.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.465 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -75.03 121.55 22.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.411 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.65 123.89 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 111.462 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.811 HG22 ' HB2' ' A' ' 520' ' ' LYS . 5.2 tp -132.74 136.81 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.126 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.591 ' HB2' ' CD1' ' A' ' 519' ' ' TRP . 45.3 t -126.42 -160.25 0.97 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 111.055 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 32.2 p -140.97 10.78 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 462' ' ' THR . 3.2 tp10 158.57 -56.05 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.776 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 463' ' ' GLU . 87.3 Cg_exo -36.29 -50.28 1.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.885 2.39 . . . . 0.0 112.729 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.496 HD12 ' CB ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -31.08 92.24 0.05 OUTLIER Pre-proline 0 N--CA 1.462 0.136 0 CA-C-O 121.127 0.489 . . . . 0.0 111.045 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.564 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 55.3 Cg_endo -69.58 -38.8 7.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.148 2.566 . . . . 0.0 112.974 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.925 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 160.59 177.16 33.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.574 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 8.5 ptt85 -61.37 -42.71 99.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 111.171 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 7.8 pttt -63.31 -44.62 94.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.564 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 23.7 mt-30 -74.81 -43.36 55.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.261 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 467' ' ' GLY . 52.1 t -63.86 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.777 0.322 . . . . 0.0 110.642 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 15.1 ptt180 -63.2 -40.49 97.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 22.9 m-20 -64.46 -37.7 88.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.921 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.794 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -65.48 -56.03 14.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.199 0.523 . . . . 0.0 111.105 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.812 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.6 pp -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.463 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.421 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.44 -25.68 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.738 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.91 -29.91 62.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 474' ' ' THR . 1.9 mp -80.95 -32.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.772 ' HB3' HG22 ' A' ' 506' ' ' VAL . 0.2 OUTLIER -164.08 163.12 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.837 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 480' ' ' GLU . 8.3 pt-20 -74.55 110.55 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.812 HG21 ' CD1' ' A' ' 475' ' ' LEU . 9.1 m -103.98 159.3 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.88 -72.91 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.052 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 4.7 t80 -146.55 141.96 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.742 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 3.2 t -105.72 115.52 47.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -100.85 91.02 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.759 HD12 ' SG ' ' A' ' 493' ' ' CYS . 2.2 tt -92.34 128.64 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 490' ' ' ASP . 2.3 mp -61.05 95.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.727 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -39.25 117.18 0.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.7 12.63 82.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.688 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 1.2 t0 -119.63 160.14 23.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.95 12.58 23.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.452 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 487' ' ' LEU . 0.2 OUTLIER -128.24 128.17 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.428 . . . . 0.0 111.467 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.759 ' SG ' HD12 ' A' ' 486' ' ' LEU . 0.5 OUTLIER -127.75 146.64 50.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.339 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.454 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 6.3 m80 -123.23 101.36 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 111.23 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.34 122.97 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.566 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.512 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -92.05 137.29 32.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 481' ' ' VAL . 2.0 m-85 -110.31 148.13 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -19.06 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 152.57 59.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.15 -42.65 0.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.874 2.383 . . . . 0.0 112.253 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.61 -37.19 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.72 -40.31 72.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 507' ' ' ILE . 50.4 tt0 -53.18 -41.0 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.603 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.17 92.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 479' ' ' SER . 28.2 t -68.69 -42.52 83.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.972 HD12 ' N ' ' A' ' 508' ' ' ASN . 2.8 pp -63.67 -34.1 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.563 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.972 ' N ' HD12 ' A' ' 507' ' ' ILE . 16.8 m120 -69.81 -40.04 76.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.249 0.547 . . . . 0.0 110.208 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.56 55.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.841 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 1.024 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -58.93 -14.41 9.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 508' ' ' ASN . 58.7 p -46.77 -37.68 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.403 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.76 -28.03 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.639 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.495 HG13 ' CG ' ' A' ' 510' ' ' TYR . 3.3 mm -57.16 -47.7 83.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.665 0.269 . . . . 0.0 111.216 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -54.26 -31.41 53.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 111.155 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -65.76 -28.47 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.779 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.507 ' HG3' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -97.52 -40.11 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 519' ' ' TRP . 13.3 m-70 -161.52 137.56 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 76.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.465 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.593 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.3 OUTLIER -101.01 144.7 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.209 0.528 . . . . 0.0 111.563 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.811 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.5 OUTLIER -108.77 128.74 55.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.822 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.024 HD13 ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -136.95 104.64 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.74 137.99 53.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.558 HG13 HG21 ' A' ' 507' ' ' ILE . 40.0 mt -87.38 116.45 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 1.6 mm? -60.28 135.47 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.323 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.539 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 88.3 p -144.3 161.41 39.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.74 -162.32 4.32 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.734 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 m-20 -38.99 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.629 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.461 ' O ' HD12 ' A' ' 524' ' ' LEU . 0.5 OUTLIER -65.0 -46.59 80.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.539 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 6.0 pt-20 -67.47 -45.96 74.4 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.819 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 2.0 pp0? -64.28 -39.42 93.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.104 0.478 . . . . 0.0 110.467 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -53.32 58.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.301 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.803 ' HE1' HD11 ' A' ' 536' ' ' ILE . 21.8 t80 -60.54 -43.57 97.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 110.497 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 456' ' ' ILE . 24.9 m95 -61.03 -41.94 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.49 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 530' ' ' GLN . 76.4 mm-40 -58.05 -44.51 87.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.126 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -58.25 -38.69 77.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.63 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.803 HD11 ' HE1' ' A' ' 532' ' ' TYR . 54.7 mt -60.57 -44.87 97.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.97 -56.52 18.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.3 -40.06 54.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.31 -39.41 92.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.998 0.428 . . . . 0.0 110.333 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 536' ' ' ILE . 5.6 mmt180 -63.32 -40.47 97.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.309 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 544' ' ' LEU . 0.0 OUTLIER -62.21 -42.32 99.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.158 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.72 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.218 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -23.58 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 1.3 tp -53.18 -26.11 16.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 547' ' ' PRO . 20.2 m120 -91.09 -59.28 2.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.765 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.84 98.92 0.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 545' ' ' ASN . 74.2 Cg_exo -50.59 92.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.226 . . . . 0.0 112.131 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -125.23 -177.66 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -69.52 68.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.61 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.75 -5.71 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.125 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.45 80.32 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.4 65.14 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.783 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 554' ' ' THR . . . -116.86 -151.16 9.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.626 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 553' ' ' GLY . 0.4 OUTLIER 78.39 -55.13 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 556' ' ' LYS . 0.1 OUTLIER -130.36 125.79 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.828 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 555' ' ' GLU . 1.7 tttt 177.63 73.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.38 130.09 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 558' ' ' ILE . 0.9 OUTLIER -128.99 165.29 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.953 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 559' ' ' THR . 22.3 m -105.89 46.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 560' ' ' LYS . 10.3 mmmt 71.42 -159.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.998 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.84 33.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -48.98 142.91 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 441' ' ' HIS . 8.8 t60 -160.48 128.97 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER 164.13 -26.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 442' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 443' ' ' HIS . 22.6 t-80 -36.5 134.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 442' ' ' HIS . 2.5 m80 174.56 158.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 445' ' ' ASN . 1.4 t -59.69 156.21 14.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 445' ' ' ASN . 0.1 OUTLIER -154.15 106.33 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -149.85 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 32.7 p 53.07 -168.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 98.09 -118.17 6.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -86.54 78.97 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.917 2.412 . . . . 0.0 112.532 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 177.3 90.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 27.4 p90 -39.88 125.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.776 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.15 108.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.378 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 2.2 p -72.47 16.81 0.12 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.35 31.46 0.01 OUTLIER Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.607 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.702 HG21 ' O ' ' A' ' 499' ' ' THR . 0.0 OUTLIER 40.62 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 117.073 0.436 . . . . 0.0 110.722 -179.578 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.556 HG12 ' NE1' ' A' ' 533' ' ' TRP . 8.2 mm -89.51 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.925 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.884 HG23 HD13 ' A' ' 523' ' ' ILE . 4.3 p -82.09 116.91 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.52 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 7.3 tttt -84.22 123.18 29.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.357 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.479 ' HB ' ' SG ' ' A' ' 493' ' ' CYS . 5.7 mt -113.23 122.18 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.889 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.04 136.55 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.716 178.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 465' ' ' LEU . 86.6 p -121.23 -171.22 2.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.25 0.548 . . . . 0.0 111.855 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.0 OUTLIER -115.41 -3.36 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.987 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.572 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.7 OUTLIER 154.75 -44.06 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.155 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.068 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 95.3 Cg_exo -44.81 -28.51 2.99 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.964 2.443 . . . . 0.0 113.243 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.869 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -39.13 102.98 0.27 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.491 ' HG2' ' HG2' ' A' ' 470' ' ' GLN . 4.4 Cg_exo -76.26 -42.55 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 123.369 2.713 . . . . 0.0 112.588 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 160.61 174.37 30.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.303 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.529 ' HB3' HD23 ' A' ' 486' ' ' LEU . 6.2 ptt180 -60.62 -39.64 88.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.748 0.309 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -61.0 -44.72 97.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.491 ' HG2' ' HG2' ' A' ' 466' ' ' PRO . 0.1 OUTLIER -77.89 -44.48 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.816 HG11 ' SG ' ' A' ' 493' ' ' CYS . 69.3 t -59.36 -44.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.324 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.731 ' HB2' HG21 ' A' ' 484' ' ' VAL . 0.4 OUTLIER -63.74 -42.2 97.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.28 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.77 -37.11 86.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.533 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -66.96 -56.38 10.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.126 0.488 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.643 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.0 OUTLIER -61.12 -38.9 88.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.36 -25.04 64.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.1 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.33 -29.74 62.88 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.29 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.719 HD13 ' HE2' ' A' ' 510' ' ' TYR . 1.5 mp -80.51 -32.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.891 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.2 OUTLIER -170.45 157.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.539 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.66 117.91 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 475' ' ' LEU . 16.1 m -104.2 166.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -86.56 -69.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.068 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -142.49 140.97 32.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.228 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.731 HG21 ' HB2' ' A' ' 472' ' ' ARG . 10.9 t -106.19 115.78 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.913 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 485' ' ' ASP . 0.0 OUTLIER -100.17 85.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 1.031 HD12 ' N ' ' A' ' 487' ' ' LEU . 0.5 OUTLIER -86.53 126.69 34.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 1.031 ' N ' HD12 ' A' ' 486' ' ' LEU . 36.1 mt -60.87 86.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 487' ' ' LEU . 31.5 tt0 -37.29 116.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.42 83.29 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.695 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 487' ' ' LEU . 1.3 t0 -121.02 155.91 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.639 ' O ' HD13 ' A' ' 465' ' ' LEU . 7.8 p -87.74 12.52 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.698 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 487' ' ' LEU . 3.1 mt-10 -125.64 125.59 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 111.234 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.816 ' SG ' HG11 ' A' ' 471' ' ' VAL . 1.6 p -124.59 141.19 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.689 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 532' ' ' TYR . 4.7 m80 -124.0 108.23 12.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.531 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -90.8 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.044 0.449 . . . . 0.0 111.889 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.456 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 3.6 mtm180 -92.1 125.83 36.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 454' ' ' GLY . 2.0 m-85 -101.17 151.48 21.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 498' ' ' LYS . 5.5 tttp -80.07 -19.11 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.435 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.702 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -134.92 151.82 76.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 111.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.415 ' HA ' HG11 ' A' ' 455' ' ' VAL . 74.4 Cg_endo -74.26 -40.83 1.07 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.816 2.344 . . . . 0.0 112.248 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.45 ' OE2' ' NE2' ' A' ' 443' ' ' HIS . 0.9 OUTLIER -64.46 -35.26 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.541 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.67 -41.46 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -67.16 -41.89 85.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.1 OUTLIER -61.87 -42.33 98.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.19 0.519 . . . . 0.0 110.571 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.14 92.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.941 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.717 HG23 HG21 ' A' ' 478' ' ' ILE . 15.0 p -68.66 -42.72 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.962 ' HA ' HD23 ' A' ' 521' ' ' LEU . 1.0 OUTLIER -66.28 -35.1 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.92 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.591 ' O ' HG22 ' A' ' 511' ' ' THR . 90.4 m-20 -70.04 -40.53 75.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.218 0.533 . . . . 0.0 109.973 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.19 -22.73 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.482 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 1.015 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -59.82 -12.74 8.05 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.566 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 508' ' ' ASN . 0.0 OUTLIER -49.89 -37.29 30.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 515' ' ' LYS . 1.6 mt-10 -65.05 -28.44 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.277 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.495 HG12 ' HA ' ' A' ' 510' ' ' TYR . 50.8 mm -54.07 -46.27 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.146 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.24 -24.98 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 512' ' ' GLU . 2.8 mmtt -60.52 -17.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -119.6 -36.12 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.755 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 1.8 m-70 -160.79 130.59 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.681 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 57.0 m -58.37 76.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.691 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -93.93 145.02 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.889 ' HB2' HG22 ' A' ' 460' ' ' ILE . 3.5 mmtt -109.13 135.35 50.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.558 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.015 HD22 ' CD1' ' A' ' 510' ' ' TYR . 8.2 tp -132.85 109.29 9.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.517 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.13 123.46 40.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.884 HD13 HG23 ' A' ' 457' ' ' VAL . 26.8 mm -79.15 114.98 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.6 mt -63.28 134.97 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.2 t -144.7 162.17 37.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.383 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.29 -136.18 43.38 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.115 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -30.36 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.611 0.243 . . . . 0.0 111.12 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -64.12 -46.9 82.14 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.074 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 533' ' ' TRP . 3.0 tp10 -68.1 -45.63 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.412 . . . . 0.0 110.647 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -63.27 -40.08 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.753 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -51.4 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.871 ' CE1' HD11 ' A' ' 536' ' ' ILE . 36.4 t80 -57.22 -43.68 83.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.598 ' CE3' HD12 ' A' ' 536' ' ' ILE . 51.3 m95 -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 538' ' ' VAL . 11.6 mm-40 -52.52 -43.13 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -62.67 -38.18 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.552 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.871 HD11 ' CE1' ' A' ' 532' ' ' TYR . 34.7 mt -64.57 -67.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.712 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.73 -56.58 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 534' ' ' GLN . 95.2 t -57.28 -38.97 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 543' ' ' LYS . 26.7 t0 -64.34 -37.7 88.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.59 98.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.706 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.22 -43.09 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.7 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 539' ' ' ASP . 62.6 mttt -62.76 -31.49 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.398 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 38.9 tp -44.01 -28.44 0.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -158.26 108.9 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.206 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.435 ' HG3' ' HD2' ' A' ' 547' ' ' PRO . 21.7 tt0 65.82 129.38 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 546' ' ' GLN . 39.0 Cg_endo -66.94 -161.88 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.602 2.202 . . . . 0.0 112.116 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.93 120.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -164.78 75.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -176.81 111.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER 163.05 -23.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.294 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -71.52 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 554' ' ' THR . . . 87.85 -112.12 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.567 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER 47.04 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.823 0.344 . . . . 0.0 111.089 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -170.29 52.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.09 136.79 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.716 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 558' ' ' ILE . 13.0 mt -86.64 -49.04 7.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 557' ' ' LEU . 0.2 OUTLIER -173.66 155.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.2 m -120.44 137.88 54.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -81.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.013 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 45.2 tpp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.869 0.366 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.18 89.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' HIS . . . . . 0.535 ' C ' ' CG ' ' A' ' 440' ' ' HIS . 9.7 p-80 -121.17 -176.62 3.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.535 ' CG ' ' C ' ' A' ' 439' ' ' HIS . 0.8 OUTLIER -162.41 129.32 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 440' ' ' HIS . 0.2 OUTLIER 168.88 95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -52.21 162.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 444' ' ' SER . 0.4 OUTLIER -97.43 -152.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.684 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 443' ' ' HIS . 0.0 OUTLIER 54.21 109.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.99 174.03 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.425 ' O ' ' OG1' ' A' ' 447' ' ' THR . . . 67.02 8.28 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 446' ' ' ALA . 6.7 m -170.88 77.44 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -146.48 69.4 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.44 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.67 67.22 8.48 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.817 2.345 . . . . 0.0 112.482 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -154.86 32.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.645 ' CE2' ' CD1' ' A' ' 533' ' ' TRP . 18.5 p90 -76.88 134.14 39.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.733 ' CG2' HG11 ' A' ' 455' ' ' VAL . 7.2 p -47.21 89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.318 0.58 . . . . 0.0 110.65 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 451' ' ' PHE . 0.3 OUTLIER -70.77 144.82 50.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.133 -178.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.84 80.63 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 115.638 1.015 . . . . 0.0 115.638 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.733 HG11 ' CG2' ' A' ' 452' ' ' VAL . 28.7 m -121.62 5.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.627 0.714 . . . . 0.0 110.953 178.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.591 HG21 ' CG ' ' A' ' 532' ' ' TYR . 4.8 mm -90.36 94.09 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.24 118.68 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.154 0.502 . . . . 0.0 112.16 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 494' ' ' HIS . 24.2 tttt -80.41 123.54 28.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.659 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 16.7 mt -114.02 125.37 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.323 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 1.004 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.56 138.46 52.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 465' ' ' LEU . 28.8 t -125.55 -163.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.964 0.411 . . . . 0.0 111.002 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 32.9 p -133.63 3.63 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.403 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 1.6 tt0 158.29 -46.97 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 80.7 Cg_exo -45.31 -36.81 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.941 2.427 . . . . 0.0 112.799 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.45 99.71 0.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.114 0.483 . . . . 0.0 110.72 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.567 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 66.8 Cg_endo -73.56 -41.9 1.02 Allowed 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 123.025 2.484 . . . . 0.0 113.031 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 156.03 178.93 30.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.386 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 9.2 ptp180 -61.54 -40.44 94.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.714 0.293 . . . . 0.0 111.204 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.37 -45.55 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.096 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.567 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 2.9 mt-30 -79.83 -43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 467' ' ' GLY . 50.7 t -61.44 -44.29 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.233 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 6.4 ptm180 -63.72 -42.22 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.049 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.62 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 6.6 m-20 -64.3 -35.21 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.723 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -67.68 -57.63 6.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.989 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.9 pp -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.384 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.524 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.81 -29.99 62.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.334 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 474' ' ' THR . 2.6 mt -81.05 -32.69 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.653 ' HB3' HG22 ' A' ' 506' ' ' VAL . 0.3 OUTLIER -171.54 114.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.905 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 479' ' ' SER . 2.1 tt0 -36.33 123.27 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.989 HG21 ' CD1' ' A' ' 475' ' ' LEU . 12.7 m -113.5 158.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.366 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.02 -71.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.568 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.586 ' CD2' ' NH2' ' A' ' 496' ' ' ARG . 6.9 t80 -148.91 141.56 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.352 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 495' ' ' ALA . 2.8 t -98.51 119.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.543 ' HB2' ' NH1' ' A' ' 496' ' ' ARG . 38.3 t70 -100.83 86.97 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.442 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -94.52 128.9 41.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.571 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.538 ' HB3' ' CB ' ' A' ' 490' ' ' ASP . 1.7 mp -70.23 96.14 1.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.675 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 487' ' ' LEU . 6.2 tp10 -34.5 122.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.472 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.73 84.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.927 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 5.8 t70 -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.454 ' O ' HD13 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -85.71 12.83 8.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.022 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -123.79 120.27 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.093 0.473 . . . . 0.0 111.56 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.729 ' HB3' HD12 ' A' ' 486' ' ' LEU . 1.8 p -128.41 141.87 51.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.078 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 458' ' ' LYS . 5.0 m80 -121.3 106.34 11.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -85.1 128.81 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.427 . . . . 0.0 111.812 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.586 ' NH2' ' CD2' ' A' ' 483' ' ' TYR . 0.0 OUTLIER -93.13 134.91 34.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.429 179.339 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.795 ' CE2' HG12 ' A' ' 481' ' ' VAL . 1.2 m-85 -109.99 151.58 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -70.38 -17.06 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.789 0.328 . . . . 0.0 111.048 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.504 ' C ' HG12 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -142.82 152.75 59.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.22 -40.57 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.82 2.347 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.75 -30.75 69.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 506' ' ' VAL . 10.3 m-20 -63.38 -32.15 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.251 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.24 92.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.374 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.8 OUTLIER -58.39 -41.32 84.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.266 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.54 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.805 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.653 HG22 ' HB3' ' A' ' 479' ' ' SER . 59.1 t -68.49 -43.4 83.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.793 ' HA ' HD21 ' A' ' 521' ' ' LEU . 2.4 pp -65.32 -33.68 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.586 ' O ' HG22 ' A' ' 511' ' ' THR . 91.3 m-20 -69.93 -40.08 75.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.21 0.529 . . . . 0.0 110.123 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.14 -27.33 57.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.674 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.689 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -55.23 -21.15 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.357 -178.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 508' ' ' ASN . 1.3 t -49.26 -37.4 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 0.0 109.472 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.483 ' HG2' ' HG3' ' A' ' 515' ' ' LYS . 0.4 OUTLIER -64.27 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.278 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.405 HG21 ' HE3' ' A' ' 519' ' ' TRP . 15.7 mm -49.34 -46.48 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.353 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -58.78 -24.78 62.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.728 0.299 . . . . 0.0 111.179 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.483 ' HG3' ' HG2' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -52.87 -20.35 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.528 ' HA ' ' CE ' ' A' ' 516' ' ' LYS . 0.1 OUTLIER -124.09 -41.63 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.495 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.3 m-70 -153.62 128.04 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.5 120.73 9.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.659 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.595 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.5 OUTLIER -131.76 143.02 49.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.681 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 1.004 ' HB2' HG22 ' A' ' 460' ' ' ILE . 6.8 mmtt -109.64 123.98 50.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.203 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 507' ' ' ILE . 0.1 OUTLIER -137.6 106.51 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 179.218 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.21 135.09 52.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.679 HD11 HG12 ' A' ' 507' ' ' ILE . 35.4 mt -88.81 117.33 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 7.3 mt -63.5 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.624 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.458 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -143.63 161.1 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 111.396 -179.244 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 50.94 -146.18 10.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.944 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -31.23 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 110.883 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.418 ' ND1' HD22 ' A' ' 524' ' ' LEU . 2.1 t-160 -65.31 -46.61 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.458 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 5.0 pt-20 -67.72 -45.63 74.51 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.23 0.538 . . . . 0.0 110.355 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -64.13 -36.24 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.693 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.9 OUTLIER -62.45 -50.75 70.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.446 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.712 ' HE1' HD11 ' A' ' 536' ' ' ILE . 12.3 t80 -61.0 -43.94 98.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 111.09 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.814 ' CE3' HD12 ' A' ' 536' ' ' ILE . 26.9 m95 -62.4 -33.14 74.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.922 0.392 . . . . 0.0 110.101 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 2.7 mt-30 -60.2 -41.33 92.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.674 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 532' ' ' TYR . 0.1 OUTLIER -62.48 -40.31 96.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.731 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.814 HD12 ' CE3' ' A' ' 533' ' ' TRP . 23.9 mt -61.47 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.79 -47.63 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 534' ' ' GLN . 84.4 t -61.92 -39.35 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -38.93 92.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.78 -41.67 99.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.598 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -42.29 98.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.24 78.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -48.51 -24.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 544' ' ' LEU . 1.9 tm? -39.76 -33.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.235 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -40.65 -62.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -172.18 151.04 2.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.33 86.4 0.81 Allowed 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.83 -171.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.73 99.76 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.85 113.21 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -48.14 141.64 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -172.66 129.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 107.79 131.55 6.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.614 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 554' ' ' THR . 12.9 t -127.4 55.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 68.27 81.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.747 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 74.9 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.36 84.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 27.0 mt -125.21 130.47 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -73.37 137.62 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 561' ' ' ALA . 0.4 OUTLIER -83.67 151.31 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.32 153.14 35.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 441' ' ' HIS . 0.1 OUTLIER -119.79 52.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 439' ' ' HIS . 82.1 m-70 65.2 -64.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 439' ' ' HIS . 1.2 m-70 -113.27 148.19 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -85.42 -21.63 28.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 177.45 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.2 p -77.03 -173.72 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.91 146.7 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -136.86 124.83 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 7.2 p -119.58 150.94 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 153.41 -93.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.559 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -48.71 142.97 17.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.828 2.352 . . . . 0.0 112.417 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.01 52.83 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.497 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 13.2 p90 -66.64 123.37 19.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 452' ' ' VAL . 5.2 p -62.74 107.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 110.485 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.592 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.7 OUTLIER -72.61 17.39 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -179.107 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.27 31.51 0.01 OUTLIER Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.863 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.868 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.1 OUTLIER 36.31 94.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.98 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.65 HD12 ' CE1' ' A' ' 532' ' ' TYR . 16.1 mm -73.31 126.82 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.752 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.803 HG21 ' CE2' ' A' ' 497' ' ' PHE . 10.6 t -112.52 112.77 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.527 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 111.213 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 45.6 mt -112.43 122.41 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.921 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.4 136.03 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 179.248 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.822 ' HB3' HD12 ' A' ' 465' ' ' LEU . 1.2 p -121.43 -164.96 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.738 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.4 p -132.48 9.52 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 462' ' ' THR . 1.3 mm-40 156.63 -48.46 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 84.0 Cg_exo -45.16 -37.4 13.19 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.947 2.432 . . . . 0.0 112.598 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -40.83 98.99 0.19 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.112 0.482 . . . . 0.0 110.709 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.496 ' HB2' ' HB2' ' A' ' 470' ' ' GLN . 4.4 Cg_exo -74.62 -34.94 3.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.343 2.695 . . . . 0.0 112.597 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 154.92 -178.33 31.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.305 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 469' ' ' LYS . 4.0 ptt-85 -62.36 -41.16 98.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.014 0.435 . . . . 0.0 110.839 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 468' ' ' ARG . 29.8 pttt -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.531 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.496 ' HB2' ' HB2' ' A' ' 466' ' ' PRO . 1.4 tm0? -75.44 -44.29 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.705 HG22 ' CZ2' ' A' ' 519' ' ' TRP . 79.7 t -65.99 -44.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.586 ' HA ' HG21 ' A' ' 484' ' ' VAL . 31.4 ptt85 -62.87 -44.47 96.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.588 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.501 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 24.6 t0 -63.44 -43.16 98.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.391 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.2 OUTLIER -57.77 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.64 179.547 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.73 ' CD1' HG21 ' A' ' 481' ' ' VAL . 3.5 pp -41.89 -40.16 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.734 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.14 -26.63 65.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.189 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.39 -30.44 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.575 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.794 HD13 ' HE2' ' A' ' 510' ' ' TYR . 2.1 mp -82.64 -32.39 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 3.0 p -155.65 154.99 32.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.434 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.49 113.0 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.358 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.73 HG21 ' CD1' ' A' ' 475' ' ' LEU . 3.1 m -106.67 173.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.47 -65.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -145.39 141.9 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.634 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.886 HG13 ' HB2' ' A' ' 495' ' ' ALA . 61.1 t -113.8 113.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -101.96 97.5 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.272 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 1.039 HD22 ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -101.01 130.47 47.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.727 179.591 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 1.039 ' N ' HD22 ' A' ' 486' ' ' LEU . 0.3 OUTLIER -58.66 108.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -45.96 122.5 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.35 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.03 71.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.852 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.497 ' HB2' ' HB3' ' A' ' 487' ' ' LEU . 11.9 t0 -113.71 166.09 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.637 ' O ' HD13 ' A' ' 465' ' ' LEU . 6.2 p -101.63 12.78 36.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.206 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 117.84 26.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.829 ' HB2' HD23 ' A' ' 486' ' ' LEU . 1.7 t -122.0 141.4 51.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.974 0.416 . . . . 0.0 110.948 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 17.3 m80 -128.47 109.39 11.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.886 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -102.33 134.48 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.143 0.497 . . . . 0.0 112.023 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.54 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 12.3 mtp180 -86.74 130.25 34.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.083 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.803 ' CE2' HG21 ' A' ' 457' ' ' VAL . 2.3 m-85 -100.99 146.54 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.624 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -19.58 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.014 0.435 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.55 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -141.91 150.12 55.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.802 179.563 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.868 ' HA ' HG11 ' A' ' 455' ' ' VAL . 72.2 Cg_endo -75.36 -38.36 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.732 2.288 . . . . 0.0 112.305 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -39.57 91.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -35.7 81.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.087 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.571 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.9 tt0 -62.71 -41.13 98.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.82 90.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.178 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 503' ' ' ALA . 10.7 p -68.52 -43.43 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.965 HG22 ' CB ' ' A' ' 521' ' ' LEU . 0.9 OUTLIER -66.48 -35.84 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.478 ' O ' HG23 ' A' ' 511' ' ' THR . 94.5 m-20 -70.41 -40.7 73.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.132 0.492 . . . . 0.0 110.291 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.03 -23.34 55.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.794 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -60.89 -8.63 3.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.361 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 508' ' ' ASN . 82.1 p -53.16 -36.16 60.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 515' ' ' LYS . 10.8 pt-20 -54.1 -40.63 67.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.356 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.843 HG22 ' O ' ' A' ' 517' ' ' HIS . 33.4 mm -45.43 -46.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -48.4 -32.68 7.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 512' ' ' GLU . 12.3 mmtt -54.55 -26.3 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.47 ' HE2' ' HA ' ' A' ' 516' ' ' LYS . 0.0 OUTLIER -120.32 -39.84 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.843 ' O ' HG22 ' A' ' 513' ' ' ILE . 34.4 m-70 -154.12 128.68 9.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.58 120.92 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.729 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.705 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -126.41 147.26 49.81 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.464 0.65 . . . . 0.0 111.913 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 1.054 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.7 OUTLIER -110.01 135.21 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.539 -179.648 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.054 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -136.78 127.85 27.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.354 179.006 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.62 131.91 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.372 . . . . 0.0 111.47 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.55 114.9 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.534 HD13 ' ND1' ' A' ' 528' ' ' HIS . 2.8 mm? -62.58 144.7 55.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 111.214 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 51.1 p -147.92 162.14 39.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.402 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.48 -143.67 26.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.108 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 3.6 m-20 -56.69 -30.03 63.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.709 0.29 . . . . 0.0 111.205 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.534 ' ND1' HD13 ' A' ' 524' ' ' LEU . 6.3 t-160 -64.06 -46.79 82.8 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 11.7 tt0 -68.11 -45.12 74.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 0.0 110.492 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.2 pp0? -62.96 -38.18 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.692 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -60.88 -54.44 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.813 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.82 ' HE1' HD11 ' A' ' 536' ' ' ILE . 25.7 t80 -52.24 -43.86 64.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.069 0.461 . . . . 0.0 110.371 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.626 ' CE3' HD12 ' A' ' 536' ' ' ILE . 49.4 m95 -62.35 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.473 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 2.9 mm100 -50.53 -44.41 56.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.456 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.54 -39.68 94.37 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.432 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.82 HD11 ' HE1' ' A' ' 532' ' ' TYR . 40.2 mt -61.13 -55.45 24.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.4 mm? -60.38 -59.54 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 42.7 t -54.04 -38.29 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 535' ' ' LYS . 6.2 t0 -62.29 -39.21 92.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.624 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 536' ' ' ILE . 22.4 mmt85 -63.28 -40.78 98.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 541' ' ' GLN . 0.9 OUTLIER -61.8 -42.4 98.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.806 179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.81 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.437 ' HE2' ' HD3' ' A' ' 540' ' ' ARG . 0.3 OUTLIER -56.3 -35.97 68.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.792 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 544' ' ' LEU . 0.0 OUTLIER -58.94 -16.71 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.463 ' C ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -118.2 -47.53 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.49 64.17 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' A' ' 545' ' ' ASN . 57.6 Cg_endo -71.43 -163.95 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.71 175.46 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.719 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 550' ' ' LYS . 0.3 OUTLIER 68.52 170.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 551' ' ' LYS . 7.6 mttp 64.12 133.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 550' ' ' LYS . 8.6 ttmt 66.53 64.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -76.8 -22.3 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 130.23 176.14 14.3 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.544 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.91 8.27 6.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.771 0.32 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.25 49.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 166.89 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.971 0.415 . . . . 0.0 111.111 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.09 21.56 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 9.9 mt 66.09 145.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.349 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.5 m -113.12 62.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -127.53 -52.51 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.974 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -173.12 170.21 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.51 169.65 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.029 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 441' ' ' HIS . 0.0 OUTLIER 68.46 156.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 440' ' ' HIS . 1.0 OUTLIER 165.79 58.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.617 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.4 35.52 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.199 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -152.49 -59.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.41 90.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.66 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -145.75 110.78 5.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.61 146.02 40.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -80.21 113.17 3.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.438 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' PRO . . . . . 0.426 ' O ' ' CD ' ' A' ' 450' ' ' GLN . 90.9 Cg_endo -83.21 68.84 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.833 2.355 . . . . 0.0 112.453 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 449' ' ' PRO . 2.5 mp0 -145.98 27.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 34.4 p90 -81.97 109.27 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 452' ' ' VAL . 14.4 p -44.83 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.412 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.576 ' O ' ' N ' ' A' ' 455' ' ' VAL . 3.2 p -72.55 17.17 0.12 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.89 31.89 0.01 OUTLIER Glycine 0 C--N 1.334 0.468 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.798 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.576 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 37.26 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 117.112 0.456 . . . . 0.0 110.833 -179.441 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.536 HG12 ' NE1' ' A' ' 533' ' ' TRP . 4.2 mm -79.35 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.963 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 497' ' ' PHE . 71.4 t -74.11 124.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.039 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -97.2 121.13 38.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.278 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.466 HG12 ' CD1' ' A' ' 521' ' ' LEU . 0.9 OUTLIER -112.99 120.45 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 178.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.804 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.23 133.56 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 178.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 465' ' ' LEU . 59.4 p -112.33 -168.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 2.9 p -88.81 -21.39 23.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 462' ' ' THR . 0.1 OUTLIER 158.67 -50.7 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.964 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 87.5 Cg_exo -45.79 -62.41 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.748 2.299 . . . . 0.0 112.448 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.859 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER 36.58 94.56 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 110.571 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.542 ' HB2' ' CB ' ' A' ' 470' ' ' GLN . 79.1 Cg_exo -31.39 -56.25 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.371 2.714 . . . . 0.0 112.819 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.796 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 151.8 -178.81 28.87 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.901 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.564 ' HB3' HD12 ' A' ' 486' ' ' LEU . 12.1 ptm180 -62.86 -43.45 98.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.037 0.446 . . . . 0.0 110.493 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.1 OUTLIER -64.1 -45.38 88.92 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.397 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.542 ' CB ' ' HB2' ' A' ' 466' ' ' PRO . 8.3 mm100 -75.15 -43.83 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 467' ' ' GLY . 96.3 t -61.72 -43.48 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.719 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 0.7 OUTLIER -63.06 -44.49 95.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.545 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.6 OUTLIER -67.84 -32.57 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.84 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -65.61 -56.43 12.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.126 0.489 . . . . 0.0 111.449 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.932 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.7 pp -62.01 -40.88 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.147 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.493 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.16 -24.82 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.558 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.37 63.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 474' ' ' THR . 2.9 mp -81.16 -32.8 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.386 . . . . 0.0 110.584 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.485 ' HB3' ' OD2' ' A' ' 502' ' ' ASP . 17.1 m -164.5 165.9 20.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.7 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.25 114.86 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.932 HG21 ' CD1' ' A' ' 475' ' ' LEU . 5.0 m -106.42 159.75 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 482' ' ' LEU . 0.2 OUTLIER -83.94 -71.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.548 ' CE1' ' OD2' ' A' ' 485' ' ' ASP . 7.5 t80 -141.11 139.14 33.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 495' ' ' ALA . 13.4 p -108.43 115.05 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.363 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.548 ' OD2' ' CE1' ' A' ' 483' ' ' TYR . 0.1 OUTLIER -101.23 91.27 4.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.993 HD22 ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -96.91 129.74 44.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.756 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.993 ' N ' HD22 ' A' ' 486' ' ' LEU . 4.9 mt -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.39 126.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.425 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.47 7.53 73.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.63 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 0.4 OUTLIER -112.88 166.53 11.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.89 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.505 ' O ' HD13 ' A' ' 465' ' ' LEU . 62.7 p -102.3 12.77 36.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -127.2 123.9 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.09 0.471 . . . . 0.0 111.661 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.795 ' HB2' HD23 ' A' ' 486' ' ' LEU . 2.2 t -125.98 145.1 50.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.48 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 9.6 m80 -126.45 102.22 7.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -90.9 129.43 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.182 0.515 . . . . 0.0 111.944 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 123.96 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.425 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.802 ' HE1' HG21 ' A' ' 506' ' ' VAL . 2.9 m-85 -102.29 147.82 26.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.584 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -17.53 59.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.614 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.518 ' C ' HG21 ' A' ' 455' ' ' VAL . 2.7 p -144.8 149.57 43.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.087 0.47 . . . . 0.0 111.772 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.523 ' HA ' HG11 ' A' ' 455' ' ' VAL . 58.7 Cg_endo -72.06 -39.44 3.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.86 2.374 . . . . 0.0 111.923 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -60.34 -38.34 83.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.84 ' O ' HG23 ' A' ' 506' ' ' VAL . 0.2 OUTLIER -62.86 -42.49 99.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.545 179.667 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.73 84.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 507' ' ' ILE . 34.7 tt0 -54.88 -43.49 73.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.191 0.519 . . . . 0.0 110.173 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.49 90.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 502' ' ' ASP . 18.4 t -68.14 -43.93 84.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.629 ' HA ' HD23 ' A' ' 521' ' ' LEU . 1.3 pt -67.23 -35.41 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 111.415 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.538 ' O ' HG22 ' A' ' 511' ' ' THR . 19.7 m120 -70.8 -40.06 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.363 0.601 . . . . 0.0 109.877 178.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.13 -25.79 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.445 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.986 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -59.41 -17.16 28.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.202 -178.492 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 508' ' ' ASN . 3.3 t -55.21 -35.96 65.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.01 -40.48 76.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 519' ' ' TRP . 42.6 mm -41.01 -45.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -45.18 -28.77 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -26.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.736 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.562 ' CG ' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -124.73 -37.73 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.592 179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.562 ' NE2' ' CG ' ' A' ' 516' ' ' LYS . 1.8 m-70 -154.26 129.9 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.635 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.08 97.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.707 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -103.06 147.59 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.162 0.506 . . . . 0.0 111.599 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.804 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.5 OUTLIER -109.39 136.01 49.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.727 -179.341 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.986 HD22 ' CD1' ' A' ' 510' ' ' TYR . 6.5 tp -136.92 113.09 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.855 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.6 136.23 51.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 70.5 mt -90.1 118.96 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 3.7 mm? -62.12 137.19 58.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.679 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.469 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 4.5 p -148.52 162.42 39.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.396 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.04 -160.86 4.19 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.781 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 1.5 m-20 -39.76 -30.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.498 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -45.94 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.469 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 2.0 pt-20 -66.71 -45.58 78.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.028 0.442 . . . . 0.0 110.239 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -63.53 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.828 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.503 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -58.35 -54.77 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.002 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.898 ' HE1' HD11 ' A' ' 536' ' ' ILE . 24.1 t80 -59.55 -44.49 93.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.96 0.41 . . . . 0.0 110.752 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 536' ' ' ILE . 42.5 m95 -62.23 -42.02 98.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.479 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.478 ' HG2' ' OE1' ' A' ' 530' ' ' GLN . 43.0 mm-40 -51.87 -41.81 62.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.722 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.602 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 1.7 pttp -63.08 -40.66 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.898 HD11 ' HE1' ' A' ' 532' ' ' TYR . 67.1 mt -64.41 -55.03 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.81 -55.96 28.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.68 -39.57 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.369 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 43.1 t0 -64.58 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.534 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -62.18 -41.04 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.1 -40.64 98.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.387 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.17 81.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -42.43 -32.73 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -29.16 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.61 149.14 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.29 63.81 1.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.19 111.08 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.982 2.454 . . . . 0.0 112.322 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.65 101.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 550' ' ' LYS . 4.6 mm-40 -124.9 115.55 20.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 549' ' ' GLU . 1.0 OUTLIER 36.65 75.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.66 93.04 8.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.037 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 129.78 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.783 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -137.18 177.41 19.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.729 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.91 58.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.98 93.7 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.444 ' O ' HG12 ' A' ' 558' ' ' ILE . 3.2 mtmt -104.05 100.04 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.04 133.65 27.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 556' ' ' LYS . 5.5 mm -123.56 92.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 30.2 p -106.37 -29.7 9.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 58.58 68.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.037 -179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 22.5 mtm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.816 0.341 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 438' ' ' HIS . . . . . 0.507 ' O ' ' CB ' ' A' ' 439' ' ' HIS . 2.4 m80 -63.91 169.95 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' HIS . . . . . 0.507 ' CB ' ' O ' ' A' ' 438' ' ' HIS . 3.3 t-80 83.28 72.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 441' ' ' HIS . 7.0 t-80 -101.1 148.3 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.707 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER 78.07 161.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 -179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.96 140.79 50.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.985 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.96 59.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.89 112.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.814 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 7.3 m-20 -63.03 -86.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 445' ' ' ASN . . . 174.06 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 5.3 p -51.42 169.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -149.83 -73.54 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.23 87.16 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.793 2.328 . . . . 0.0 112.202 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.44 112.39 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 38.6 p90 -87.34 109.87 19.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.116 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 452' ' ' VAL . 5.4 m -43.87 99.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.432 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.582 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.8 OUTLIER -72.24 17.42 0.1 Allowed 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.239 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.15 31.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.16 -0.543 . . . . 0.0 113.889 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.718 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.2 OUTLIER 34.95 96.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.071 0.436 . . . . 0.0 111.201 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.792 HD11 ' CE2' ' A' ' 533' ' ' TRP . 26.4 mm -72.61 126.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.416 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.707 HG21 ' CE2' ' A' ' 497' ' ' PHE . 83.2 t -113.13 97.0 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.739 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.444 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 1.2 tttt -74.59 117.09 16.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.382 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.623 HD13 HD21 ' A' ' 521' ' ' LEU . 4.3 mt -112.62 124.53 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.686 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.97 134.71 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.043 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.943 ' OG ' HD12 ' A' ' 465' ' ' LEU . 85.0 p -121.11 -164.78 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.3 p -120.72 -8.54 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.531 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.3 OUTLIER 156.26 -45.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 94.7 Cg_exo -44.5 -26.33 1.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.855 2.37 . . . . 0.0 112.673 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.943 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -38.76 103.13 0.27 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.373 . . . . 0.0 110.646 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.507 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 32.4 Cg_endo -64.56 -44.81 10.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.782 2.321 . . . . 0.0 112.703 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 156.58 -178.65 32.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 486' ' ' LEU . 19.0 ptt180 -61.72 -41.8 98.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.3 OUTLIER -62.53 -43.3 99.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.372 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.507 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 4.2 mm-40 -76.63 -43.05 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.661 HG22 ' CZ2' ' A' ' 519' ' ' TRP . 34.8 t -63.05 -44.71 99.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.122 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 23.6 ptt85 -63.58 -39.52 94.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.663 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -45.67 88.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 477' ' ' ALA . 1.5 p -61.03 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.376 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.758 ' CD1' HG21 ' A' ' 481' ' ' VAL . 4.0 pp -42.19 -41.51 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.225 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.604 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.58 -26.45 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -72.11 -29.08 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.714 HG21 ' HA ' ' A' ' 506' ' ' VAL . 2.0 mp -81.53 -30.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 75.6 m -167.31 161.97 14.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.71 117.78 17.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.758 HG21 ' CD1' ' A' ' 475' ' ' LEU . 2.2 m -105.16 161.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.56 -70.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.4 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -143.06 136.46 28.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 472' ' ' ARG . 2.0 p -111.55 116.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.009 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 493' ' ' CYS . 7.0 t70 -95.29 130.55 42.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 493' ' ' CYS . 0.0 OUTLIER -130.84 120.35 23.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.179 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 490' ' ' ASP . 2.6 mt -61.09 93.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.696 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.9 tm-20 -33.75 125.79 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.573 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 70.77 7.35 61.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.829 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 487' ' ' LEU . 3.4 t0 -108.3 170.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.1 p -105.9 12.27 30.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.97 131.49 47.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 111.348 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.467 ' SG ' ' HB ' ' A' ' 459' ' ' ILE . 3.1 p -136.88 145.46 44.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.476 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 16.5 m80 -125.81 110.63 13.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.325 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -92.82 135.04 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.104 0.478 . . . . 0.0 111.745 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 -95.18 130.78 41.77 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.541 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.757 ' CE1' HG12 ' A' ' 481' ' ' VAL . 3.1 m-85 -112.45 152.34 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.19 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -18.99 50.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.657 0.265 . . . . 0.0 111.383 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.606 ' C ' HG21 ' A' ' 455' ' ' VAL . 2.9 p -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.472 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.718 ' HA ' HG11 ' A' ' 455' ' ' VAL . 66.3 Cg_endo -73.82 -37.09 3.11 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.917 2.411 . . . . 0.0 112.341 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -39.94 94.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.5 -42.04 98.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.49 -41.72 88.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.8 tt0 -62.17 -37.65 86.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.007 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.714 ' HA ' HG21 ' A' ' 478' ' ' ILE . 2.9 p -68.23 -42.1 84.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.3 pt -64.68 -33.49 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 111.439 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 507' ' ' ILE . 22.8 m120 -69.82 -40.31 75.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.276 0.56 . . . . 0.0 110.065 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.34 53.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.532 ' CD1' ' HG ' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -62.54 -10.84 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 514' ' ' ASN . 44.7 p -52.46 -37.48 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -53.32 -45.82 69.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.167 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.607 HG21 ' HE3' ' A' ' 519' ' ' TRP . 50.9 mt -53.55 -47.39 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.889 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 514' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 511' ' ' THR . 6.5 t30 -40.35 -32.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 512' ' ' GLU . 1.7 mttp -67.74 -50.35 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.415 ' HG3' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -74.81 -42.78 57.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.774 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 516' ' ' LYS . 23.1 m-70 -153.01 123.49 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.601 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.15 92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.661 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.3 OUTLIER -110.23 144.49 38.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.46 0.647 . . . . 0.0 111.829 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.78 ' HB2' HG22 ' A' ' 460' ' ' ILE . 3.0 mmtp -109.55 130.39 55.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.167 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 507' ' ' ILE . 0.4 OUTLIER -132.91 115.14 14.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.588 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.03 142.65 38.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.11 119.88 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 6.2 mt -58.44 146.79 33.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.7 t -145.06 161.92 38.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.614 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 51.66 -133.99 34.98 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 113.018 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.32 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.615 0.245 . . . . 0.0 111.413 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -46.73 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.655 0.264 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 18.6 tt0 -68.14 -45.26 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -40.61 97.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.726 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 11.8 ttt180 -57.68 -55.75 30.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.62 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.881 ' HE1' HD11 ' A' ' 536' ' ' ILE . 25.7 t80 -51.1 -42.66 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.256 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.792 ' CE2' HD11 ' A' ' 456' ' ' ILE . 38.0 m95 -61.57 -41.82 97.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 8.6 mm-40 -49.07 -44.6 42.07 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.543 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.39 -39.25 92.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.481 178.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.881 HD11 ' HE1' ' A' ' 532' ' ' TYR . 36.4 mt -62.48 -62.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.796 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.5 mm? -47.33 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.456 ' HA ' ' HG2' ' A' ' 541' ' ' GLN . 97.7 t -51.76 -38.67 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 46.5 t0 -63.75 -38.96 93.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -63.25 -40.88 98.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 538' ' ' VAL . 0.7 OUTLIER -63.23 -42.43 99.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.52 80.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -61.54 -33.11 73.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 545' ' ' ASN . 0.3 OUTLIER -57.28 -30.24 64.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 544' ' ' LEU . 15.6 m120 72.43 137.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 42.49 67.99 3.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 113.61 2.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 549' ' ' GLU . 0.0 OUTLIER -110.82 85.26 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.46 ' O ' ' NH2' ' A' ' 548' ' ' ARG . 0.0 OUTLIER -131.42 177.7 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 549' ' ' GLU . 0.0 OUTLIER 167.17 -43.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 151.16 23.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.26 89.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 554' ' ' THR . . . 176.98 -176.04 47.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.473 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 553' ' ' GLY . 8.8 t 177.45 -164.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.402 ' N ' ' OG1' ' A' ' 554' ' ' THR . 18.0 mm-40 54.89 88.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 557' ' ' LEU . 0.9 OUTLIER -113.29 -164.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 556' ' ' LYS . 1.1 mt 36.53 92.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 3.4 pt -130.82 167.92 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 12.0 t -64.6 141.14 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 561' ' ' ALA . 0.0 OUTLIER 61.15 103.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -127.88 117.81 22.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.21 -83.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -123.61 -75.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -177.07 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -79.71 -80.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.746 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 444' ' ' SER . 4.8 t-160 170.5 127.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 443' ' ' HIS . 24.7 p -72.1 152.6 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.782 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.03 173.1 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -123.86 -78.37 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 54.34 67.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.001 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -169.45 93.02 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.32 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.98 164.6 35.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.775 2.317 . . . . 0.0 112.573 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 179.34 128.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 533' ' ' TRP . 7.1 t80 -83.97 109.12 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.378 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.81 HG22 HG11 ' A' ' 455' ' ' VAL . 11.3 p -97.29 48.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.482 0.658 . . . . 0.0 110.475 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.4 ' CB ' ' OE2' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -37.71 144.88 0.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.946 . . . . 0.0 113.134 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.79 31.53 78.57 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.81 HG11 HG22 ' A' ' 452' ' ' VAL . 30.6 m -121.47 2.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.965 0.882 . . . . 0.0 110.986 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.642 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 3.0 mm -81.76 92.49 2.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.555 ' CG2' ' CE2' ' A' ' 497' ' ' PHE . 48.0 t -80.24 109.07 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.498 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 27.8 tttm -76.45 122.48 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.536 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ILE . . . . . 0.465 ' HB ' ' SG ' ' A' ' 493' ' ' CYS . 2.7 mt -113.19 123.05 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 111.522 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.917 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.74 134.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.051 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.872 ' HB3' HD12 ' A' ' 465' ' ' LEU . 1.4 p -123.32 -161.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.964 0.411 . . . . 0.0 111.171 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 25.7 p -117.0 -16.62 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.94 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.537 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 3.1 mt-10 160.43 -48.67 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 82.3 Cg_exo -40.2 -26.0 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.872 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -39.73 100.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.402 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.57 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 18.3 Cg_endo -58.54 -45.47 29.9 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.917 2.411 . . . . 0.0 112.711 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 153.41 -175.07 31.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.384 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.783 ' HB3' HD23 ' A' ' 486' ' ' LEU . 2.3 ptp180 -61.92 -39.07 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.899 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 10.4 mttt -62.42 -43.86 97.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.336 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.57 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 8.1 mm100 -77.69 -44.24 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.716 HG11 ' SG ' ' A' ' 493' ' ' CYS . 72.2 t -62.62 -44.36 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.262 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 3.7 ptm180 -63.28 -44.85 93.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.062 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 5.6 t70 -63.25 -40.94 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 477' ' ' ALA . 5.9 p -61.47 -82.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 1.005 ' CD1' HG21 ' A' ' 481' ' ' VAL . 3.4 pp -42.33 -40.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.8 -25.87 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.04 -29.53 63.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.957 0.408 . . . . 0.0 110.606 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.77 -31.99 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.598 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.2 OUTLIER -162.56 163.92 27.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.737 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.22 112.55 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 1.005 HG21 ' CD1' ' A' ' 475' ' ' LEU . 1.4 m -105.08 146.1 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.724 HD13 ' HG3' ' A' ' 498' ' ' LYS . 24.2 tp -62.15 -76.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 483' ' ' TYR . 6.7 t80 -147.52 141.72 26.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 495' ' ' ALA . 5.9 p -100.45 114.09 38.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -100.83 87.85 3.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.959 HD12 ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -84.55 130.99 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.673 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.959 ' N ' HD12 ' A' ' 486' ' ' LEU . 0.2 OUTLIER -64.67 86.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.943 0.401 . . . . 0.0 110.752 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.7 OUTLIER -35.62 121.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.341 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.99 77.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.703 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.473 ' OD1' ' HG3' ' A' ' 492' ' ' GLU . 0.5 OUTLIER -130.12 150.29 51.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.17 -179.724 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 1.1 p -81.99 13.56 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.552 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.473 ' HG3' ' OD1' ' A' ' 490' ' ' ASP . 0.5 OUTLIER -126.01 129.47 49.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.442 . . . . 0.0 111.219 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.716 ' SG ' HG11 ' A' ' 471' ' ' VAL . 3.8 p -125.94 141.98 51.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.569 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.498 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 2.3 m80 -122.45 106.68 11.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.455 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -92.12 134.58 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.046 0.45 . . . . 0.0 111.769 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.557 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 1.4 mtm180 -92.95 132.0 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.239 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.643 ' CD1' HG12 ' A' ' 481' ' ' VAL . 1.8 m-85 -107.73 140.7 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.724 ' HG3' HD13 ' A' ' 482' ' ' LEU . 2.2 tttm -58.18 -17.25 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.746 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.439 ' C ' HG12 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -149.32 150.77 32.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.013 179.6 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.402 ' N ' HG12 ' A' ' 455' ' ' VAL . 60.3 Cg_endo -73.08 -36.27 4.46 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.801 2.334 . . . . 0.0 112.574 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.59 -36.01 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.258 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.5 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.09 90.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.564 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 507' ' ' ILE . 42.6 tt0 -55.66 -40.22 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.555 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.64 93.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.89 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.95 -42.99 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 523' ' ' ILE . 2.6 pp -64.4 -31.96 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.317 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 507' ' ' ILE . 69.8 m-20 -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.93 -25.86 53.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.746 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.471 ' CE1' ' CE3' ' A' ' 519' ' ' TRP . 0.3 OUTLIER -62.39 -12.59 22.33 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.468 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 60.1 p -54.64 -34.69 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' LYS . 0.6 OUTLIER -58.8 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 512' ' ' GLU . 3.8 mm -38.29 -44.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -50.32 -32.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.586 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 512' ' ' GLU . 11.9 mmtm -48.53 -24.07 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.12 0.486 . . . . 0.0 110.561 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -119.5 -44.23 2.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.973 179.275 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 6.1 m-70 -150.12 127.76 11.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.636 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.8 p -63.55 116.54 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.644 ' CH2' HG22 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -118.85 144.71 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.265 0.555 . . . . 0.0 111.363 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.929 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -108.67 135.68 49.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.125 -179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.929 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.3 OUTLIER -136.94 113.58 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.841 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -126.34 124.12 39.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 507' ' ' ILE . 4.9 mp -88.8 117.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 2.9 mt -62.7 139.83 58.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.496 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 0.1 OUTLIER -143.4 161.31 38.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 -179.281 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 53.17 -157.61 4.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.25 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.478 ' HA ' ' HG2' ' A' ' 530' ' ' GLN . 6.2 m-20 -40.65 -30.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.667 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -46.27 82.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.496 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 13.4 pt-20 -66.73 -45.94 77.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.999 0.428 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.519 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 0.0 OUTLIER -64.7 -31.58 72.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.505 179.205 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.519 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -62.69 -53.46 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.235 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.799 ' HE1' HD11 ' A' ' 536' ' ' ILE . 7.5 t80 -61.18 -43.77 98.36 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 110.76 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.642 ' CZ2' HD11 ' A' ' 456' ' ' ILE . 45.6 m95 -61.85 -39.9 93.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.572 ' O ' HG23 ' A' ' 538' ' ' VAL . 3.8 mm-40 -57.12 -42.4 80.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.325 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.608 ' HE2' ' CD2' ' A' ' 532' ' ' TYR . 2.0 pttp -63.0 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.963 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.799 HD11 ' HE1' ' A' ' 532' ' ' TYR . 59.5 mt -57.49 -68.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.108 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 537' ' ' LEU . 0.5 OUTLIER -46.58 -46.0 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 534' ' ' GLN . 79.0 t -57.82 -38.88 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -64.1 -38.45 91.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.703 ' NH1' HG23 ' A' ' 536' ' ' ILE . 4.3 mpt_? -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.689 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -63.07 -42.51 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.947 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.92 84.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.477 ' CE ' ' HG3' ' A' ' 540' ' ' ARG . 0.0 OUTLIER -62.28 -33.77 75.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.033 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 543' ' ' LYS . 0.2 OUTLIER -53.5 -35.88 61.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.71 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 547' ' ' PRO . 0.2 OUTLIER 178.53 85.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.051 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 6.4 pt20 -74.02 111.95 14.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 545' ' ' ASN . 89.2 Cg_exo -46.34 121.68 4.84 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 549' ' ' GLU . 0.1 OUTLIER -93.53 143.73 26.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 548' ' ' ARG . 0.0 OUTLIER 161.68 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.686 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.7 122.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.51 -169.18 1.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.442 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.88 85.84 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -71.98 -94.56 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.136 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 38.9 p -80.71 -27.69 36.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 557' ' ' LEU . 0.5 OUTLIER 76.61 132.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.023 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.28 64.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.702 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 555' ' ' GLU . 0.7 OUTLIER -79.94 64.44 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 557' ' ' LEU . 0.3 OUTLIER 38.62 52.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.04 114.83 22.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 561' ' ' ALA . 1.3 ttmm -129.83 95.64 4.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.019 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.843 0.354 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 2.1 m80 63.98 44.85 4.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -70.74 -58.02 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 67.84 90.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.782 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -74.49 75.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.04 75.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 444' ' ' SER . 1.8 t-80 -79.66 55.52 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.761 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 443' ' ' HIS . 0.4 OUTLIER -35.25 154.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.04 176.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -58.61 -163.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.038 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 13.4 t -179.83 135.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -164.14 -129.35 1.03 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.678 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.73 87.64 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.455 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 51.06 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.604 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 45.2 p90 -45.3 105.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.084 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 452' ' ' VAL . 4.0 m -40.24 96.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.607 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.7 p -72.88 16.54 0.15 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 27.7 31.57 0.01 OUTLIER Glycine 0 C--N 1.336 0.566 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.607 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.2 OUTLIER 40.01 101.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.354 0.577 . . . . 0.0 111.509 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.544 HD11 ' CE2' ' A' ' 533' ' ' TRP . 48.4 mm -81.03 126.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.978 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.723 HG21 ' CE2' ' A' ' 497' ' ' PHE . 77.2 t -113.67 106.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.815 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.69 119.25 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.792 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.01 125.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.677 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.792 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.11 135.14 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.83 ' OG ' HD12 ' A' ' 465' ' ' LEU . 28.4 p -124.59 -166.19 1.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.107 0.48 . . . . 0.0 111.036 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.41 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.3 p -123.02 -14.05 7.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.61 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 0.0 OUTLIER 167.44 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 70.7 Cg_exo -38.18 -27.12 0.1 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.677 2.251 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.853 HD13 ' HA ' ' A' ' 491' ' ' THR . 0.1 OUTLIER -39.76 101.9 0.25 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.055 0.455 . . . . 0.0 110.574 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.521 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 52.0 Cg_endo -69.08 -43.53 3.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 123.138 2.559 . . . . 0.0 113.179 -179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.818 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 155.02 -179.35 31.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.301 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 11.5 ptt180 -61.9 -42.64 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 111.075 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.4 OUTLIER -63.35 -45.53 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 111.096 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.521 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 20.3 mm-40 -75.36 -43.72 48.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.757 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 467' ' ' GLY . 96.6 t -62.98 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.383 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 9.3 ptm180 -62.71 -40.19 96.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.119 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.536 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 13.8 t70 -66.47 -35.18 79.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.546 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 478' ' ' ILE . 0.6 OUTLIER -66.76 -58.97 4.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.237 0.542 . . . . 0.0 110.793 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.743 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.1 pp -62.17 -40.08 94.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.874 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.11 -24.74 65.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.267 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.17 -29.97 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.643 ' HB ' HG23 ' A' ' 506' ' ' VAL . 4.5 mm -80.61 -32.4 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.1 OUTLIER -170.63 160.94 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.78 117.33 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.743 HG21 ' CD1' ' A' ' 475' ' ' LEU . 29.3 m -107.07 161.34 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.454 HD11 ' HD2' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -80.97 -67.61 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.755 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -145.41 141.91 28.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.28 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.477 HG11 ' HB3' ' A' ' 472' ' ' ARG . 2.0 p -106.81 122.23 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 493' ' ' CYS . 1.5 t0 -97.3 131.66 43.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.418 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.747 HD22 ' CA ' ' A' ' 489' ' ' GLY . 0.9 OUTLIER -129.51 126.91 39.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.301 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 487' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 114.67 22.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 111.27 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 42.23 27.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.446 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' GLY . . . . . 0.747 ' CA ' HD22 ' A' ' 486' ' ' LEU . . . 68.3 5.9 44.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.652 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 489' ' ' GLY . 6.4 t0 -53.68 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.853 ' HA ' HD13 ' A' ' 465' ' ' LEU . 24.8 p -95.8 12.52 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 492' ' ' GLU . 4.4 pm0 -125.76 119.34 27.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.113 0.482 . . . . 0.0 111.531 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 485' ' ' ASP . 0.1 OUTLIER -137.93 148.33 45.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.386 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.494 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 8.3 m80 -124.52 105.95 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -87.05 133.89 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.494 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.589 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -95.12 131.2 41.39 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.654 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.8 m-85 -109.34 153.58 23.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.759 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.454 ' HD2' HD11 ' A' ' 482' ' ' LEU . 0.6 OUTLIER -81.59 -19.6 41.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.82 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.469 ' C ' HG21 ' A' ' 455' ' ' VAL . 3.0 p -138.51 151.92 70.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.975 0.417 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.511 ' HA ' HG11 ' A' ' 455' ' ' VAL . 61.9 Cg_endo -75.28 -36.97 2.1 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.882 2.388 . . . . 0.0 112.587 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.35 -39.75 91.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -39.43 92.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.987 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -61.85 -42.35 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.37 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.982 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.643 HG23 ' HB ' ' A' ' 478' ' ' ILE . 5.8 p -68.64 -42.92 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 508' ' ' ASN . 2.6 pp -64.79 -33.62 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.34 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.715 ' N ' HD12 ' A' ' 507' ' ' ILE . 47.2 m-20 -70.35 -40.68 73.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.185 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 478' ' ' ILE . . . -76.58 -26.25 54.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.651 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.918 ' CD1' HD12 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -66.05 -18.51 65.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.606 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 508' ' ' ASN . 4.6 t -49.08 -37.67 22.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.287 0.565 . . . . 0.0 109.731 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 515' ' ' LYS . 7.2 mm-40 -65.28 -26.17 67.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.061 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.835 HD11 ' CE2' ' A' ' 510' ' ' TYR . 3.2 mm -40.65 -39.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.047 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.34 -28.54 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.45 ' HD2' ' HB3' ' A' ' 512' ' ' GLU . 0.1 OUTLIER -54.85 -27.48 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.6 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.527 ' HA ' ' CE ' ' A' ' 516' ' ' LYS . 0.0 OUTLIER -111.27 -46.93 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.359 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 513' ' ' ILE . 0.7 OUTLIER -156.18 129.85 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.486 179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.437 ' SG ' ' HE2' ' A' ' 520' ' ' LYS . 48.1 t -54.23 119.31 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.111 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.763 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.3 OUTLIER -140.29 143.49 35.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.278 0.561 . . . . 0.0 111.38 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.792 ' HB2' HG22 ' A' ' 460' ' ' ILE . 2.0 mmtp -109.08 131.3 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.314 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.918 HD12 ' CD1' ' A' ' 510' ' ' TYR . 0.4 OUTLIER -129.12 114.6 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.53 140.6 47.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.252 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.405 HD11 HG12 ' A' ' 507' ' ' ILE . 9.0 mt -97.47 120.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.6 OUTLIER -64.96 143.58 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.995 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 162.71 39.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.411 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 53.94 -165.5 2.33 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.909 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 2.2 m-20 -38.63 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 526' ' ' GLY . 0.2 OUTLIER -64.39 -46.59 82.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 2.6 tt0 -67.46 -45.68 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.078 0.466 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.0 pp0? -63.31 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.414 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.3 OUTLIER -56.69 -55.65 31.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.7 ' HE1' HD11 ' A' ' 536' ' ' ILE . 24.9 t80 -53.72 -42.05 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.003 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.598 ' CE3' HD12 ' A' ' 536' ' ' ILE . 29.5 m95 -60.77 -36.55 79.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.472 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 13.6 mm100 -56.47 -38.85 72.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.592 ' HE2' ' CD2' ' A' ' 532' ' ' TYR . 0.4 OUTLIER -62.55 -41.08 98.68 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.57 178.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.7 HD11 ' HE1' ' A' ' 532' ' ' TYR . 58.0 mt -64.42 -67.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -43.29 -63.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 79.1 t -53.54 -38.58 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 57.6 t0 -63.98 -38.1 89.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.7 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -40.9 98.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -63.37 -42.93 98.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.225 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.727 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -36.17 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.196 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 544' ' ' LEU . 0.4 OUTLIER -57.03 -23.89 49.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.752 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -124.54 66.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.238 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -38.3 122.95 1.09 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.08 -171.02 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.815 2.343 . . . . 0.0 112.504 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.16 61.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.0 162.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -68.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 24.0 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.63 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 111.2 -32.71 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.268 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 53.2 p -141.64 100.82 3.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 111.061 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.19 176.02 7.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.45 126.85 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 558' ' ' ILE . 9.8 mt -89.04 20.58 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 557' ' ' LEU . 29.8 mt 58.24 124.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 559' ' ' THR . 12.9 t -175.48 66.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.416 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.33 143.38 1.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.031 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.82 90.25 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 14.01 14.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.68 150.23 29.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -97.45 -177.95 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.46 123.45 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -97.44 119.66 36.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 445' ' ' ASN . 1.5 m -130.01 139.03 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 444' ' ' SER . 1.2 m-20 83.68 47.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.606 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -99.73 -60.1 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.178 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 24.9 p 55.8 -158.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 115.36 -75.85 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.757 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.89 -175.44 2.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.863 2.376 . . . . 0.0 112.371 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.87 -145.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.519 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 50.3 p90 -52.72 109.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 452' ' ' VAL . 15.3 m -43.29 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.38 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' SER . . . . . 0.583 ' HB2' ' CD1' ' A' ' 533' ' ' TRP . 1.1 p -72.09 18.32 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 33.0 30.92 0.01 OUTLIER Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.047 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 499' ' ' THR . 0.1 OUTLIER 34.45 86.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.962 -179.62 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.963 HD11 ' CE2' ' A' ' 533' ' ' TRP . 29.0 mm -63.99 125.7 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.846 HG21 ' CE1' ' A' ' 497' ' ' PHE . 10.8 t -112.73 102.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.612 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -80.2 118.26 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 6.3 mt -112.97 124.2 69.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.887 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.816 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.46 135.71 58.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.444 178.784 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 461' ' ' SER . . . . . 0.692 ' CB ' HD12 ' A' ' 465' ' ' LEU . 85.4 p -109.39 171.6 7.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.072 0.463 . . . . 0.0 111.505 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' THR . . . . . 0.661 HG23 ' NZ ' ' A' ' 520' ' ' LYS . 1.2 p -112.34 17.05 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.729 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' GLU . . . . . 0.583 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 4.2 tt0 156.69 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.151 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 32.4 Cg_exo -58.55 -140.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.789 2.326 . . . . 0.0 112.143 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.791 HD21 ' SG ' ' A' ' 493' ' ' CYS . 0.2 OUTLIER 75.62 73.12 0.21 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.342 0.592 . . . . 0.0 110.525 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 466' ' ' PRO . . . . . 0.547 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 18.2 Cg_endo -58.6 -34.34 98.79 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.638 2.892 . . . . 0.0 112.901 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.965 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 157.58 176.17 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.098 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 469' ' ' LYS . 1.7 ptt180 -61.4 -37.87 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.482 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 468' ' ' ARG . 0.5 OUTLIER -62.51 -45.56 92.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 111.414 -179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.547 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 32.8 mm-40 -77.4 -43.7 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 467' ' ' GLY . 38.9 t -61.33 -43.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.788 ' HB3' HG11 ' A' ' 484' ' ' VAL . 20.5 ptt180 -63.23 -43.52 97.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.192 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 50.4 m-20 -63.69 -35.4 80.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.7 4.26 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.162 0.505 . . . . 0.0 111.387 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.95 ' CD1' HG21 ' A' ' 481' ' ' VAL . 3.2 pp -64.27 -40.69 96.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.112 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.66 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.83 -25.24 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.33 -30.88 63.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.89 -32.11 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.346 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.7 p -166.85 124.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.745 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -46.45 125.39 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.414 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.95 HG21 ' CD1' ' A' ' 475' ' ' LEU . 0.5 OUTLIER -115.29 164.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.894 179.638 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 482' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 482' ' ' LEU . 0.4 OUTLIER -76.81 -71.09 0.42 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -147.4 142.11 26.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.436 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' VAL . . . . . 0.788 HG11 ' HB3' ' A' ' 472' ' ' ARG . 6.2 p -102.86 116.25 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 22.3 t70 -101.4 86.6 3.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 493' ' ' CYS . 2.8 tt -91.39 130.81 37.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 490' ' ' ASP . 4.3 mp -69.94 90.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.997 0.427 . . . . 0.0 110.641 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.6 tt0 -35.59 122.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.068 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 77.97 12.48 84.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 487' ' ' LEU . 11.9 t0 -120.65 160.38 23.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 7.2 p -93.52 12.69 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.462 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.17 41.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.511 . . . . 0.0 111.658 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' CYS . . . . . 0.791 ' SG ' HD21 ' A' ' 465' ' ' LEU . 0.5 OUTLIER -127.19 143.73 51.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 494' ' ' HIS . . . . . 0.46 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 12.7 m80 -125.11 102.04 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.752 0.311 . . . . 0.0 110.758 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 457' ' ' VAL . . . -89.88 127.82 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 0.0 111.679 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 482' ' ' LEU . 5.5 mtp180 -84.87 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.505 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.846 ' CE1' HG21 ' A' ' 457' ' ' VAL . 2.7 m-85 -102.37 146.21 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.338 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -78.78 -17.17 56.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.5 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' THR . . . . . 0.566 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -139.37 152.0 68.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.457 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 500' ' ' PRO . . . . . 0.496 ' HA ' HG11 ' A' ' 455' ' ' VAL . 74.1 Cg_endo -74.15 -39.15 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.975 2.45 . . . . 0.0 112.462 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -37.1 81.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -37.81 87.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.416 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.77 -43.61 83.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 111.247 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.546 ' O ' HG13 ' A' ' 507' ' ' ILE . 16.8 tt0 -62.99 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.22 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.31 92.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.085 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 503' ' ' ALA . 11.7 p -68.58 -42.65 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.67 HG22 HD12 ' A' ' 521' ' ' LEU . 1.2 pt -65.12 -32.4 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.516 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ASN . . . . . 0.411 ' N ' HG13 ' A' ' 507' ' ' ILE . 75.0 m-20 -70.21 -40.07 74.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.354 0.597 . . . . 0.0 109.881 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.42 55.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' TYR . . . . . 0.592 ' CD1' ' HG ' ' A' ' 521' ' ' LEU . 0.1 OUTLIER -63.52 -23.26 67.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 66.7 p -49.4 -37.54 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.21 0.528 . . . . 0.0 109.981 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -27.05 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.156 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.576 HG13 ' CG ' ' A' ' 510' ' ' TYR . 15.1 mm -45.52 -39.09 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.712 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -58.77 -21.8 56.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.579 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -45.45 -24.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' LYS . . . . . 0.537 ' HG2' ' NE2' ' A' ' 517' ' ' HIS . 1.3 tppt? -130.44 -53.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.664 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 517' ' ' HIS . . . . . 0.537 ' NE2' ' HG2' ' A' ' 516' ' ' LYS . 2.1 m-70 -127.68 110.46 12.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.3 111.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' TRP . . . . . 0.629 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -124.22 146.08 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.436 0.636 . . . . 0.0 112.078 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 520' ' ' LYS . . . . . 0.816 ' HB2' HG22 ' A' ' 460' ' ' ILE . 1.9 mmtp -109.52 135.86 49.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.628 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.67 HD12 HG22 ' A' ' 507' ' ' ILE . 0.3 OUTLIER -132.69 124.7 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.376 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.82 133.27 30.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' ILE . . . . . 0.518 HG12 ' HB1' ' A' ' 503' ' ' ALA . 3.5 mt -94.67 117.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.681 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.532 ' HB2' ' HB ' ' A' ' 456' ' ' ILE . 2.5 mm? -63.18 141.72 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.37 . . . . 0.0 111.095 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.9 t -147.53 162.71 38.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.204 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.39 -154.58 8.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.987 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -30.23 4.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.47 0.176 . . . . 0.0 111.331 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -46.58 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 11.1 tt0 -67.68 -44.78 76.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.15 0.5 . . . . 0.0 110.405 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.047 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -62.21 -53.12 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.148 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.851 ' HE1' HD11 ' A' ' 536' ' ' ILE . 34.8 t80 -54.55 -43.28 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.422 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.963 ' CE2' HD11 ' A' ' 456' ' ' ILE . 28.6 m95 -62.02 -42.03 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 3.7 mt-30 -50.08 -44.44 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.87 -38.51 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.545 178.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ILE . . . . . 0.851 HD11 ' HE1' ' A' ' 532' ' ' TYR . 6.6 mt -62.49 -68.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.545 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 35.9 mt -40.05 -59.22 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.593 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.35 -38.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 536' ' ' ILE . 27.1 t70 -63.62 -38.73 92.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.95 0.405 . . . . 0.0 110.251 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -41.2 99.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.227 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 544' ' ' LEU . 2.7 mp0 -62.84 -42.39 99.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.435 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.28 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.49 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 544' ' ' LEU . 14.2 mttt -63.72 -10.5 19.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.863 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 0.6 OUTLIER -37.2 -34.23 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 547' ' ' PRO . 29.9 m120 -108.19 63.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 545' ' ' ASN . 3.8 mt-30 -33.8 93.38 0.06 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 545' ' ' ASN . 77.3 Cg_exo -50.93 99.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.754 2.303 . . . . 0.0 112.55 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.424 ' NH1' ' HD2' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -79.97 110.03 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.82 98.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.424 ' HD2' ' NH1' ' A' ' 548' ' ' ARG . 0.1 OUTLIER -162.46 51.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.416 ' HG3' ' C ' ' A' ' 550' ' ' LYS . 36.3 mttm 76.14 94.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER -120.63 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 555' ' ' GLU . . . -56.27 -115.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 44.6 52.4 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER 178.38 122.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.98 104.42 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.801 HD11 ' CB ' ' A' ' 561' ' ' ALA . 0.7 OUTLIER -102.31 142.19 33.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 32.7 pt -50.41 155.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 561' ' ' ALA . 0.2 OUTLIER 67.1 118.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.012 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 87.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.801 ' CB ' HD11 ' A' ' 557' ' ' LEU . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 140.99 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -73.32 121.51 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.715 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -61.95 1.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' A' ' 442' ' ' HIS . 0.1 OUTLIER -166.2 148.32 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' A' ' 441' ' ' HIS . 32.5 p-80 -54.28 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -75.22 105.49 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.1 p -155.64 53.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 38.82 80.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -106.44 -172.72 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 18.9 p -116.61 -158.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -116.2 -116.5 2.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.403 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.46 134.89 21.32 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.47 62.25 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.77 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.564 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 49.4 p90 -82.29 104.15 12.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 451' ' ' PHE . 0.3 OUTLIER -37.53 99.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.472 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.581 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.6 OUTLIER -72.17 18.53 0.08 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.94 31.49 0.01 OUTLIER Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.456 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 453' ' ' SER . 1.0 OUTLIER 38.43 100.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.905 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.768 HD11 ' CE2' ' A' ' 533' ' ' TRP . 5.4 mm -81.67 125.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.726 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.725 HG21 ' CE2' ' A' ' 497' ' ' PHE . 54.0 t -113.12 107.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.847 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -83.5 118.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.394 . . . . 0.0 111.379 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 1.1 mt -113.53 124.4 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.749 HG22 ' HB2' ' A' ' 520' ' ' LYS . 9.7 tp -131.51 135.54 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.442 . . . . 0.0 110.786 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.947 ' HB3' HD12 ' A' ' 465' ' ' LEU . 31.3 t -124.78 -164.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.508 ' N ' ' OG ' ' A' ' 461' ' ' SER . 69.6 p -126.45 -6.03 6.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.621 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 0.6 OUTLIER 166.93 -52.94 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 0.0 111.002 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 71.0 Cg_exo -37.77 -33.39 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.002 2.468 . . . . 0.0 112.7 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.947 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.46 97.13 0.12 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.647 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.552 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 41.2 Cg_endo -67.12 -39.56 13.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.086 2.524 . . . . 0.0 113.15 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.89 179.6 28.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.269 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.557 ' HB3' HD22 ' A' ' 486' ' ' LEU . 5.8 ptm180 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.896 0.379 . . . . 0.0 110.784 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 7.7 ptpp? -62.0 -43.49 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.552 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 2.9 mt-30 -78.52 -44.25 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 467' ' ' GLY . 74.4 t -62.1 -43.92 98.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.002 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.642 ' HB3' HG11 ' A' ' 484' ' ' VAL . 6.8 ptm180 -63.07 -44.66 95.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.218 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.483 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 6.1 t0 -61.53 -37.7 84.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.94 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.0 OUTLIER -62.28 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.306 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.597 ' CD1' HG21 ' A' ' 481' ' ' VAL . 0.9 OUTLIER -41.48 -40.9 1.93 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.043 -179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.1 -26.22 64.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.187 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.67 -30.09 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.796 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 4.3 mt -82.15 -31.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.9 m -168.1 119.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.568 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 127.14 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.109 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.662 HG12 ' CE1' ' A' ' 497' ' ' PHE . 15.3 m -114.93 164.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -80.93 -69.05 0.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.721 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -145.31 141.74 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.129 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 472' ' ' ARG . 7.3 p -112.45 117.81 56.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -101.84 88.83 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' A' ' 493' ' ' CYS . 0.6 OUTLIER -93.27 130.38 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 487' ' ' LEU . 2.4 mm? -65.41 85.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 110.598 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.6 OUTLIER -35.82 128.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 74.7 12.97 82.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.568 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 487' ' ' LEU . 6.0 t0 -128.33 167.86 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.327 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 460' ' ' ILE . 12.3 p -100.73 12.6 37.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.494 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.515 ' HG2' ' CD1' ' A' ' 460' ' ' ILE . 5.9 mt-10 -123.83 115.3 21.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.982 0.42 . . . . 0.0 111.314 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.752 ' HB3' HD12 ' A' ' 486' ' ' LEU . 0.8 OUTLIER -122.39 143.41 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.498 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.489 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 5.1 m80 -124.79 102.55 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.802 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -87.47 133.14 33.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.076 0.465 . . . . 0.0 111.818 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -96.56 135.66 38.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.725 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.6 m-85 -112.57 157.12 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -83.94 -19.58 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.304 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.532 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.8 OUTLIER -133.75 151.11 76.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.958 0.409 . . . . 0.0 111.069 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.0 -38.23 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.818 2.345 . . . . 0.0 112.499 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' ' 502' ' ' ASP . 3.3 pt-20 -60.99 -34.91 75.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.789 ' O ' HG23 ' A' ' 506' ' ' VAL . 8.6 t70 -63.36 -40.82 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 507' ' ' ILE . . . -66.8 -42.96 85.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.98 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.471 ' O ' HG13 ' A' ' 507' ' ' ILE . 25.7 tt0 -62.38 -43.32 99.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.676 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.35 93.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 502' ' ' ASP . 58.2 t -68.33 -43.59 84.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 111.65 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 1.056 ' HA ' HD23 ' A' ' 521' ' ' LEU . 2.6 pp -65.99 -35.43 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.268 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.695 ' N ' HD12 ' A' ' 507' ' ' ILE . 42.4 m-80 -69.71 -40.22 76.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.129 0.49 . . . . 0.0 110.141 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.22 -21.18 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.926 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.993 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -62.95 -20.78 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 50.3 p -49.53 -37.22 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 515' ' ' LYS . 67.8 mm-40 -64.93 -31.6 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.073 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.558 HG21 ' CB ' ' A' ' 519' ' ' TRP . 29.9 mm -42.19 -42.78 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.88 -25.85 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.265 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 516' ' ' LYS . 0.1 OUTLIER -53.44 -27.6 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.023 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -116.08 -42.46 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.014 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 1.7 m-70 -155.21 128.82 8.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.93 118.67 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.625 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.2 OUTLIER -138.11 142.65 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.276 0.56 . . . . 0.0 111.534 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.749 ' HB2' HG22 ' A' ' 460' ' ' ILE . 4.2 mmtt -109.52 136.52 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.962 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.056 HD23 ' HA ' ' A' ' 507' ' ' ILE . 7.2 tp -131.72 125.82 32.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -139.78 133.31 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 70.9 mt -92.19 119.59 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 3.8 mm? -64.69 139.07 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 90.2 p -146.05 162.33 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 111.397 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.11 -149.35 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.907 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 3.5 m-20 -51.62 -30.17 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.625 0.25 . . . . 0.0 111.139 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.439 ' C ' HD12 ' A' ' 524' ' ' LEU . 0.1 OUTLIER -64.31 -46.68 82.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.969 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 16.6 tt0 -67.86 -45.45 74.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.5 pp0? -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.741 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -58.1 -53.57 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.81 ' HE1' HD11 ' A' ' 536' ' ' ILE . 26.1 t80 -56.91 -43.38 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.021 0.439 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.768 ' CE2' HD11 ' A' ' 456' ' ' ILE . 33.6 m95 -61.94 -41.7 98.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.366 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 538' ' ' VAL . 1.5 mt-30 -50.05 -42.45 49.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -63.08 -40.14 96.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.895 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.81 HD11 ' HE1' ' A' ' 532' ' ' TYR . 58.9 mt -61.92 -56.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.33 -48.14 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 534' ' ' GLN . 96.8 t -56.23 -39.11 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.548 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -64.1 -36.57 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.399 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -42.1 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.571 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -43.64 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.329 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.27 -29.03 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 545' ' ' ASN . 0.0 OUTLIER -58.15 -16.1 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.136 -179.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.475 HD23 HD22 ' A' ' 545' ' ' ASN . 0.5 OUTLIER -35.64 -33.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.643 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.475 HD22 HD23 ' A' ' 544' ' ' LEU . 1.1 m-80 -82.66 105.87 14.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.431 ' OE1' ' HD2' ' A' ' 547' ' ' PRO . 42.6 mm-40 -111.05 141.5 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 111.048 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 546' ' ' GLN . 30.1 Cg_endo -63.39 -161.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.822 2.348 . . . . 0.0 111.901 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.18 178.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -95.68 120.81 36.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -143.34 141.23 30.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.998 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 30.5 mttm 67.25 175.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.21 131.24 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.714 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 138.09 -148.74 20.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.533 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 172.32 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.245 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 556' ' ' LYS . 2.6 tm-20 -78.87 83.49 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 28.7 mttp -162.8 124.74 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.22 146.28 44.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.93 78.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.279 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 7.5 p 53.25 22.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt 61.94 83.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.938 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -113.33 -70.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -68.68 144.11 54.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.38 14.65 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 157.11 36.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 443' ' ' HIS . 1.2 p-80 -139.88 40.55 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' O ' ' HB3' ' A' ' 444' ' ' SER . 1.6 t-160 79.02 -52.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 443' ' ' HIS . 29.6 t 66.03 23.18 11.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -135.55 77.5 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -78.58 153.28 31.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.38 145.28 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . 0.501 ' N ' ' CD ' ' A' ' 449' ' ' PRO . . . 121.97 -46.86 1.07 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 448' ' ' GLY . 52.0 Cg_exo -54.25 178.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.439 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.18 64.18 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 52.3 p90 -56.33 118.4 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 454' ' ' GLY . 2.7 p -48.82 98.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.569 ' O ' ' NE1' ' A' ' 533' ' ' TRP . 4.2 p -72.66 18.06 0.1 Allowed 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 31.74 30.99 0.01 OUTLIER Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.46 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.761 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.0 OUTLIER 36.04 95.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.953 0.377 . . . . 0.0 111.129 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.712 HD11 ' CE2' ' A' ' 533' ' ' TRP . 28.2 mm -76.7 126.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.254 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 497' ' ' PHE . 55.4 t -112.81 97.47 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.492 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.658 ' HB2' HD21 ' A' ' 524' ' ' LEU . 17.3 tttt -76.99 120.11 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.054 0.454 . . . . 0.0 111.445 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 5.3 mt -113.58 126.38 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.615 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.922 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.07 137.15 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.695 178.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.838 ' HB3' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -125.76 -172.1 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.2 p -133.83 14.77 3.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.533 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 1.7 mm-40 156.28 -49.25 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.204 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 88.1 Cg_exo -42.79 -46.22 8.53 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.088 2.526 . . . . 0.0 112.705 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.86 96.49 0.11 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.291 0.567 . . . . 0.0 110.577 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.54 ' HB2' ' HG3' ' A' ' 470' ' ' GLN . 7.6 Cg_exo -73.82 -33.95 5.84 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.58 2.854 . . . . 0.0 112.937 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 158.38 176.07 30.02 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.198 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.2 ptt85 -61.43 -42.56 98.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' A' ' 472' ' ' ARG . 2.0 ptpt -62.89 -44.21 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.54 ' HG3' ' HB2' ' A' ' 466' ' ' PRO . 11.5 mm-40 -72.49 -43.37 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.3 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 467' ' ' GLY . 96.8 t -64.75 -43.97 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.591 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.608 ' HA ' HD21 ' A' ' 475' ' ' LEU . 16.9 ptt180 -63.0 -37.83 88.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.522 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.3 OUTLIER -66.39 -39.64 89.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.656 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.81 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.0 OUTLIER -64.67 -52.55 56.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 0.0 110.713 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.889 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.2 pp -63.97 -40.18 95.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.981 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.515 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.78 -25.23 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.52 -29.66 62.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.459 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.889 HD13 ' HE2' ' A' ' 510' ' ' TYR . 1.7 mp -80.6 -32.14 12.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.808 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.523 ' HB3' ' CG2' ' A' ' 506' ' ' VAL . 21.1 t -170.76 166.35 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -73.17 111.52 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.747 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.889 HG21 ' CD1' ' A' ' 475' ' ' LEU . 7.4 m -101.19 155.25 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.769 HD12 ' CG ' ' A' ' 498' ' ' LYS . 3.8 tt -78.95 -73.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 483' ' ' TYR . 2.9 t80 -147.71 141.61 25.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.061 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.534 HG13 ' HB2' ' A' ' 495' ' ' ALA . 2.0 t -100.0 123.51 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.639 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 62.0 t0 -100.74 75.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.393 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.896 HD22 ' N ' ' A' ' 487' ' ' LEU . 0.2 OUTLIER -88.95 125.96 35.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.225 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.896 ' N ' HD22 ' A' ' 486' ' ' LEU . 12.5 mt -60.2 97.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.698 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -37.25 113.74 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.49 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.5 13.01 83.13 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.227 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 2.9 t0 -117.83 161.03 20.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 111.224 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.636 ' O ' HD13 ' A' ' 465' ' ' LEU . 74.7 p -92.45 12.45 22.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.17 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.96 120.17 30.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.716 ' HB3' HD23 ' A' ' 486' ' ' LEU . 1.6 p -129.12 144.95 51.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.474 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 3.9 m80 -123.42 104.23 8.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.669 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.534 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -81.72 130.6 35.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.769 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.788 HH11 HD13 ' A' ' 536' ' ' ILE . 5.1 mtm180 -95.19 133.32 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.473 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 457' ' ' VAL . 2.3 m-85 -110.64 156.48 20.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.769 ' CG ' HD12 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -81.27 -19.73 42.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.779 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.493 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -145.95 150.64 43.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.242 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.761 ' HA ' HG11 ' A' ' 455' ' ' VAL . 60.7 Cg_endo -72.48 -39.04 2.97 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.93 2.42 . . . . 0.0 112.55 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.459 ' HG3' ' OD1' ' A' ' 502' ' ' ASP . 14.5 pt-20 -59.24 -39.32 82.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.542 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 501' ' ' GLU . 2.1 m-20 -63.34 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 507' ' ' ILE . . . -66.35 -38.3 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.628 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.499 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.4 tt0 -61.46 -43.51 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.137 0.494 . . . . 0.0 110.567 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.05 -40.52 91.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.788 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.881 HG22 HG22 ' A' ' 478' ' ' ILE . 42.1 t -69.1 -43.18 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.741 HG22 HD21 ' A' ' 521' ' ' LEU . 2.8 pp -65.95 -33.0 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.178 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.638 ' N ' HD12 ' A' ' 507' ' ' ILE . 89.1 m-20 -69.55 -40.08 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.279 0.561 . . . . 0.0 109.986 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.09 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.727 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 1.075 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -61.28 -20.24 62.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 55.4 p -47.58 -36.2 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.236 0.541 . . . . 0.0 109.908 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.25 -14.73 61.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.831 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 519' ' ' TRP . 31.4 mm -59.35 -45.92 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.481 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 514' ' ' ASN . 2.1 t-20 -62.83 -27.04 69.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.25 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.84 -22.1 58.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.608 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -116.55 -55.56 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.608 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.1 m-70 -139.11 125.08 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.8 t -51.39 120.27 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.582 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -147.41 147.47 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.317 0.58 . . . . 0.0 111.572 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.922 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.6 OUTLIER -109.57 131.07 55.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.368 -179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.075 HD13 ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -137.94 123.2 19.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.078 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -140.41 140.92 35.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.037 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.528 ' CD1' HG21 ' A' ' 507' ' ' ILE . 29.2 mt -92.71 114.27 29.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.484 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 458' ' ' LYS . 0.1 OUTLIER -55.47 138.01 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.95 162.26 37.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.313 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.28 -135.85 40.05 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.764 -0.653 . . . . 0.0 113.093 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 15.0 m-20 -62.46 -30.45 71.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.594 0.235 . . . . 0.0 111.38 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -63.89 -46.47 84.72 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.01 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 2.4 tt0 -67.93 -45.86 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 2.1 pp0? -63.34 -40.34 97.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.4 OUTLIER -60.63 -57.46 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.374 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.872 ' HE1' HD11 ' A' ' 536' ' ' ILE . 39.7 t80 -51.77 -42.8 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.712 ' CE2' HD11 ' A' ' 456' ' ' ILE . 34.7 m95 -61.79 -41.72 98.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 538' ' ' VAL . 68.0 mm-40 -50.24 -44.68 53.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.507 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -63.26 -37.69 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.677 178.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.872 HD11 ' HE1' ' A' ' 532' ' ' TYR . 13.3 mt -62.54 -68.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.929 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.82 -50.69 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 534' ' ' GLN . 77.7 t -53.6 -40.19 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.136 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.04 -38.61 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 110.138 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -63.17 -40.65 98.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.507 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -42.8 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.573 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.84 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -23.35 66.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.342 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.635 ' O ' HD13 ' A' ' 544' ' ' LEU . 0.2 OUTLIER -63.03 -19.89 64.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.239 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -118.38 -77.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.07 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 545' ' ' ASN . 0.0 OUTLIER -35.26 107.23 0.32 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 548' ' ' ARG . 56.6 Cg_endo -70.34 105.12 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.783 2.322 . . . . 0.0 112.026 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 60.35 158.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -151.56 170.54 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.41 107.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.795 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.24 -154.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -118.87 -50.03 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 554' ' ' THR . . . 48.38 33.76 12.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.424 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.3 OUTLIER 55.74 117.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.57 94.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.56 -156.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.04 125.87 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pt -130.83 151.74 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 16.5 p -72.12 113.11 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 127.55 32.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.937 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -129.72 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -153.4 -43.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -166.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 147.72 42.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.78 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -104.14 -83.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 443' ' ' HIS . 27.2 t-80 -157.91 52.43 0.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 3.7 m -77.14 152.99 34.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.6 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.627 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 1.2 p30 -99.85 168.32 9.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 445' ' ' ASN . . . 164.86 78.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -170.01 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 49.78 82.1 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.417 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 450' ' ' GLN . 51.4 Cg_exo -52.84 158.18 6.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.295 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 449' ' ' PRO . 5.5 tp60 57.45 118.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 452' ' ' VAL . 0.1 OUTLIER -82.35 49.93 1.52 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 452' ' ' VAL . 17.4 m 23.8 84.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 O-C-N 123.561 0.538 . . . . 0.0 111.557 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.0 OUTLIER -71.94 18.72 0.08 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.352 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 31.76 30.59 0.01 OUTLIER Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.507 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.928 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.0 OUTLIER 34.59 90.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.492 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 45.3 mm -72.22 126.93 33.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.758 HG21 ' CE1' ' A' ' 497' ' ' PHE . 53.1 t -112.12 95.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.501 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 51.7 tttt -72.79 116.25 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.402 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.539 HG21 ' CZ2' ' A' ' 519' ' ' TRP . 36.2 mt -113.21 123.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.817 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.56 135.74 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 179.02 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.885 ' OG ' HD12 ' A' ' 465' ' ' LEU . 79.8 p -117.8 -166.93 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 111.034 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 21.0 p -113.2 -11.27 13.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.093 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.4 OUTLIER 157.36 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 77.8 Cg_exo -48.49 -20.77 2.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.777 2.318 . . . . 0.0 112.874 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.885 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.2 OUTLIER -37.77 102.47 0.24 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.672 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.519 ' HB2' ' HG3' ' A' ' 470' ' ' GLN . 20.6 Cg_endo -61.6 -45.31 18.15 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.77 2.313 . . . . 0.0 112.739 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 153.03 -174.87 31.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.593 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.429 ' CB ' HD22 ' A' ' 486' ' ' LEU . 0.1 OUTLIER -62.35 -41.52 98.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.67 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 472' ' ' ARG . 1.7 pttp -61.48 -44.74 96.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.429 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.519 ' HG3' ' HB2' ' A' ' 466' ' ' PRO . 22.7 mm100 -77.69 -43.67 30.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.656 HG22 ' CH2' ' A' ' 519' ' ' TRP . 52.0 t -64.68 -45.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.642 ' HB2' HG21 ' A' ' 484' ' ' VAL . 0.4 OUTLIER -64.38 -41.98 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.207 179.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 25.0 t0 -64.79 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.495 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 477' ' ' ALA . 7.7 p -64.09 -77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.437 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 484' ' ' VAL . 1.1 pp -43.68 -41.17 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.631 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.19 -25.92 64.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.001 0.429 . . . . 0.0 110.636 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -70.57 -28.29 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.387 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.58 ' HB ' HG23 ' A' ' 506' ' ' VAL . 6.8 mm -79.97 -30.06 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.413 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.8 t -168.77 161.5 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.396 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.42 119.81 20.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.07 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.547 HG12 ' CE2' ' A' ' 497' ' ' PHE . 30.7 m -110.94 164.84 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -67.76 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.444 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 3.7 t80 -142.33 139.28 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.508 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.986 HG13 ' HB2' ' A' ' 495' ' ' ALA . 1.7 t -109.96 113.3 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.82 130.35 44.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.773 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.956 HD12 ' HB3' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -131.18 125.31 32.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.594 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.9 mp -61.79 86.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.508 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.0 OUTLIER -34.12 124.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 78.13 6.22 87.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 487' ' ' LEU . 8.2 t0 -120.84 162.42 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 1.3 p -98.06 13.62 30.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.527 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.04 114.77 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.956 ' HB3' HD12 ' A' ' 486' ' ' LEU . 5.4 p -124.71 141.6 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.501 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 4.7 m80 -128.36 116.87 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.4 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.986 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -100.28 135.68 41.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 111.85 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.483 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -91.74 130.65 37.49 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.352 179.239 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.758 ' CE1' HG21 ' A' ' 457' ' ' VAL . 2.4 m-85 -109.01 150.2 28.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.349 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -77.83 -19.31 55.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.72 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.575 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.7 OUTLIER -139.86 149.49 59.26 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.043 0.449 . . . . 0.0 111.232 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.928 ' HA ' HG11 ' A' ' 455' ' ' VAL . 73.9 Cg_endo -74.79 -38.24 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.931 2.421 . . . . 0.0 112.589 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.85 -37.3 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.455 ' O ' HG12 ' A' ' 506' ' ' VAL . 54.4 m-20 -61.38 -40.52 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.264 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 506' ' ' VAL . . . -67.17 -42.87 83.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.431 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' OE1' ' ND2' ' A' ' 508' ' ' ASN . 0.7 OUTLIER -62.43 -44.02 97.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.978 0.418 . . . . 0.0 111.066 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.62 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.991 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 478' ' ' ILE . 7.0 p -68.17 -42.85 85.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.65 HG22 ' HB3' ' A' ' 521' ' ' LEU . 2.5 pp -65.83 -32.74 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 0.0 111.017 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.514 ' ND2' ' OE1' ' A' ' 504' ' ' GLN . 32.7 m-80 -70.33 -40.28 74.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.302 0.573 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.39 -24.96 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.765 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.462 ' OH ' ' N ' ' A' ' 475' ' ' LEU . 0.2 OUTLIER -62.1 -7.49 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 508' ' ' ASN . 45.2 p -50.06 -37.24 32.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.301 0.572 . . . . 0.0 109.614 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.74 -41.37 67.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.691 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.645 HG21 ' HB2' ' A' ' 519' ' ' TRP . 10.8 mm -40.78 -46.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.109 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.11 -32.27 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.479 ' CE ' ' HD2' ' A' ' 516' ' ' LYS . 0.4 OUTLIER -49.4 -24.64 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 -179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -122.38 -38.36 2.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.3 m-70 -153.36 133.54 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.801 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 518' ' ' CYS . 30.2 p -70.84 102.59 2.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.656 ' CH2' HG22 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -105.09 148.38 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.207 0.527 . . . . 0.0 111.353 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.795 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.3 OUTLIER -108.85 124.1 50.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.061 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -124.88 123.01 39.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.442 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 523' ' ' ILE . 12.7 tm-20 -140.07 137.58 34.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.431 ' O ' ' OE2' ' A' ' 522' ' ' GLU . 43.8 mt -93.59 119.11 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.892 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.0 mm? -63.51 139.87 58.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 8.1 t -148.44 162.46 39.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.34 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.98 -148.37 18.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.035 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 0.6 OUTLIER -54.01 -30.37 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.55 0.214 . . . . 0.0 111.333 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.457 ' C ' HD12 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.805 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 5.6 tt0 -67.17 -44.81 78.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.096 0.474 . . . . 0.0 110.33 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -40.19 97.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.665 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -57.27 -54.24 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.82 ' HE1' HD11 ' A' ' 536' ' ' ILE . 36.6 t80 -55.65 -43.51 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.976 0.417 . . . . 0.0 110.59 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.667 ' CE3' HD12 ' A' ' 536' ' ' ILE . 37.4 m95 -62.31 -38.67 90.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 21.2 mm-40 -52.89 -44.17 66.71 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.496 ' HE3' ' CE2' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.29 -39.92 94.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.761 179.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.82 HD11 ' HE1' ' A' ' 532' ' ' TYR . 39.4 mt -63.04 -66.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.65 -58.43 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.043 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 534' ' ' GLN . 53.5 t -49.41 -39.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 29.7 t0 -64.64 -38.83 92.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.191 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 543' ' ' LYS . 1.5 mpt_? -62.34 -40.16 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.019 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -39.15 92.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.234 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.66 83.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 540' ' ' ARG . 0.1 OUTLIER -54.76 -20.77 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.38 -35.45 79.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -136.16 116.8 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -115.11 89.54 20.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.801 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 548' ' ' ARG . 14.4 Cg_endo -57.23 106.58 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.751 2.301 . . . . 0.0 112.344 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 547' ' ' PRO . 8.2 mmt180 36.12 77.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 51.74 -164.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -120.81 25.13 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 552' ' ' ARG . 3.6 mtmt 80.85 112.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 551' ' ' LYS . 10.3 mtm180 -42.56 170.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' A' ' 555' ' ' GLU . . . -112.57 -94.45 2.16 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 110.98 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.998 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 553' ' ' GLY . 0.5 OUTLIER -130.49 42.36 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 177.55 4.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 558' ' ' ILE . 5.2 mp -116.07 -54.41 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 557' ' ' LEU . 28.6 mm 76.43 67.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.409 ' O ' ' HE2' ' A' ' 560' ' ' LYS . 4.3 m -120.47 -50.24 2.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.37 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 559' ' ' THR . 0.0 OUTLIER 174.62 94.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 437' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 443' ' ' HIS . 0.6 OUTLIER -149.35 43.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -105.83 -19.09 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.937 0.399 . . . . 0.0 110.728 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.13 -6.19 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.041 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.419 ' HB3' ' CD2' ' A' ' 438' ' ' HIS . 1.9 t60 -102.63 34.9 2.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 441' ' ' HIS . 27.2 m170 66.83 87.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 438' ' ' HIS . 0.0 OUTLIER 65.95 -169.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -168.19 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -70.85 147.44 48.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -170.56 68.62 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.56 102.74 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -122.43 -168.45 13.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.617 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.38 143.66 83.32 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.826 2.351 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.7 78.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.752 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.94 128.0 36.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.24 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 454' ' ' GLY . 55.1 t -59.17 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.441 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -72.23 17.29 0.11 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.81 31.61 0.01 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.87 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.748 HG21 ' C ' ' A' ' 499' ' ' THR . 1.5 t 36.82 96.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.093 0.446 . . . . 0.0 111.357 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 524' ' ' LEU . 41.2 mm -76.61 125.59 36.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.744 HG21 ' CE2' ' A' ' 497' ' ' PHE . 74.9 t -112.92 109.73 29.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.74 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.484 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 36.2 tttt -86.15 116.23 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.343 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.483 HG21 ' CZ2' ' A' ' 519' ' ' TRP . 23.4 mt -112.88 123.63 68.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.817 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.41 136.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.465 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.791 ' OG ' HD12 ' A' ' 465' ' ' LEU . 90.9 p -121.66 -166.72 1.42 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.012 0.434 . . . . 0.0 110.853 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 0.6 OUTLIER -116.48 -11.12 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.253 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.573 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.2 OUTLIER 154.93 -45.16 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 79.7 Cg_exo -45.1 -23.18 0.95 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.866 2.377 . . . . 0.0 112.647 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -39.15 109.95 0.57 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.748 0.308 . . . . 0.0 110.546 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.56 ' HB2' ' CG ' ' A' ' 470' ' ' GLN . 22.7 Cg_endo -61.84 -44.25 21.8 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.867 2.378 . . . . 0.0 112.812 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 154.91 -179.28 31.09 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.364 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.896 ' HA ' HD13 ' A' ' 486' ' ' LEU . 0.0 OUTLIER -62.27 -41.34 98.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.069 0.461 . . . . 0.0 110.703 179.22 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.19 -42.17 99.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.044 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.56 ' CG ' ' HB2' ' A' ' 466' ' ' PRO . 22.1 mp0 -76.44 -44.13 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.095 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 465' ' ' LEU . 76.6 t -63.94 -44.34 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.211 0.529 . . . . 0.0 110.005 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 16.7 ptt180 -63.83 -44.09 94.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.013 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 28.1 t70 -63.0 -39.01 93.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.688 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 477' ' ' ALA . 8.8 p -62.86 -76.56 0.06 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 471' ' ' VAL . 0.9 OUTLIER -42.67 -42.17 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.8 64.29 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.967 0.413 . . . . 0.0 110.806 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -67.78 -28.43 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.632 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.658 HD13 HG23 ' A' ' 506' ' ' VAL . 1.4 mp -80.56 -30.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.404 ' HB3' ' OD2' ' A' ' 502' ' ' ASP . 4.3 m 179.93 146.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 122.62 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 497' ' ' PHE . 35.5 m -103.8 177.86 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.137 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 496' ' ' ARG . 8.9 tp -88.86 -29.04 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.503 ' HB2' ' O ' ' A' ' 482' ' ' LEU . 2.5 t80 162.54 137.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.39 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 484' ' ' VAL . 9.5 p -90.0 119.35 36.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 494' ' ' HIS . 3.1 t0 -101.52 71.02 1.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.353 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.896 HD13 ' HA ' ' A' ' 468' ' ' ARG . 1.7 tt -86.09 122.46 30.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.816 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.702 HD13 ' HG3' ' A' ' 492' ' ' GLU . 0.3 OUTLIER -63.42 91.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 487' ' ' LEU . 6.8 pt-20 -33.59 124.71 0.43 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 72.54 8.71 72.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.936 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.509 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 7.6 t0 -113.9 165.22 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.69 12.43 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.307 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.702 ' HG3' HD13 ' A' ' 487' ' ' LEU . 15.1 pt-20 -125.75 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.649 ' HB2' HD12 ' A' ' 486' ' ' LEU . 1.7 t -123.84 143.44 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.806 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.502 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 24.9 m80 -127.34 108.79 11.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.347 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -94.69 132.05 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.22 0.533 . . . . 0.0 112.298 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.616 ' HB2' HD23 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -92.65 135.82 33.76 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.729 179.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.744 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.7 m-85 -115.97 157.41 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -81.28 -19.37 43.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.748 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -135.8 152.5 76.04 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.257 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.553 ' HA ' HG11 ' A' ' 455' ' ' VAL . 72.9 Cg_endo -76.84 -38.26 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.15 -33.77 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.404 ' OD2' ' HB3' ' A' ' 479' ' ' SER . 17.0 t0 -62.64 -42.89 99.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.007 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -64.96 -42.76 94.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.4 OUTLIER -62.68 -38.68 91.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.7 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.667 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.658 HG23 HD13 ' A' ' 478' ' ' ILE . 4.3 p -68.99 -43.76 81.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.73 0.3 . . . . 0.0 111.71 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.872 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.0 OUTLIER -66.19 -34.2 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.571 ' O ' HG22 ' A' ' 511' ' ' THR . 89.6 m-20 -70.19 -40.68 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.242 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.03 53.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.583 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -60.99 -11.4 8.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 508' ' ' ASN . 0.0 OUTLIER -50.49 -36.98 36.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.246 0.546 . . . . 0.0 109.667 179.335 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -17.89 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.732 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.651 HG21 ' HB2' ' A' ' 519' ' ' TRP . 3.0 mm -57.68 -44.75 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.693 0.282 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -50.68 -29.93 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.305 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -45.63 -26.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 517' ' ' HIS . 1.2 tppt? -121.58 -49.02 2.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.712 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 516' ' ' LYS . 0.9 OUTLIER -145.04 132.04 20.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.555 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.0 m -66.26 116.78 7.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.708 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.651 ' HB2' HG21 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -119.33 148.55 43.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.355 0.598 . . . . 0.0 111.642 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.898 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.0 OUTLIER -109.39 132.46 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.899 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.898 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.4 OUTLIER -134.47 122.95 23.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.919 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -140.14 136.11 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 19.3 mt -95.74 119.4 43.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.5 mm? -63.23 143.23 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.506 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 17.6 p -147.6 161.98 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 111.726 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 51.68 -149.8 8.17 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.797 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -48.87 -30.99 6.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.617 0.246 . . . . 0.0 110.921 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -45.57 87.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.514 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 3.8 pt-20 -67.19 -44.85 78.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.23 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -63.43 -38.67 92.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.704 179.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.3 OUTLIER -60.15 -56.45 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.222 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.889 ' HE1' HD11 ' A' ' 536' ' ' ILE . 19.9 t80 -53.54 -43.7 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.685 ' O ' HD12 ' A' ' 537' ' ' LEU . 39.0 m95 -62.8 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.452 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 30.3 mm-40 -50.56 -45.01 56.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.608 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 0.1 OUTLIER -62.84 -38.51 91.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.97 179.002 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.889 HD11 ' HE1' ' A' ' 532' ' ' TYR . 11.4 mt -61.84 -56.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.464 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 533' ' ' TRP . 1.1 mp -59.88 -59.01 6.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.48 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 534' ' ' GLN . 79.0 t -47.29 -39.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.741 0.305 . . . . 0.0 111.017 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 543' ' ' LYS . 10.7 t0 -64.87 -38.58 91.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.985 0.422 . . . . 0.0 110.061 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -62.25 -40.45 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.183 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.44 98.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.181 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.37 76.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.373 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 539' ' ' ASP . 31.7 mmtp -45.09 -26.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.858 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.99 -33.04 70.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 546' ' ' GLN . 1.1 m-80 -103.24 164.73 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.581 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' A' ' 545' ' ' ASN . 1.9 tt0 49.86 104.43 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.897 0.379 . . . . 0.0 110.699 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.28 118.23 5.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.742 2.294 . . . . 0.0 112.539 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.65 107.8 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.15 -179.4 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.7 mttt 62.88 118.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.237 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.47 39.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.625 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.24 126.51 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 92.54 -17.82 56.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.76 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.92 121.08 39.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 111.174 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -90.87 139.87 30.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -152.58 126.55 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.093 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.54 -179.61 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 53.2 mt 65.11 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.89 166.99 13.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -70.2 -68.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.94 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . 0.404 ' C ' ' CG ' ' A' ' 438' ' ' HIS . 12.1 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.836 0.351 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 437' ' ' MET . 14.0 m80 -154.81 72.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 174.6 148.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.784 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 44.88 58.56 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -46.49 107.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -37.86 108.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -62.96 -52.2 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 446' ' ' ALA . 0.1 OUTLIER 60.01 161.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.95 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 34.8 m-20 35.53 -91.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 444' ' ' SER . . . 72.41 -158.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.979 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 19.5 p -135.41 123.35 22.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 103.88 137.92 9.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.14 170.78 18.22 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.848 2.365 . . . . 0.0 112.405 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -157.94 103.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.593 ' CD1' ' CG ' ' A' ' 533' ' ' TRP . 24.5 p90 -80.97 130.99 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.012 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.744 ' CG2' HG11 ' A' ' 455' ' ' VAL . 5.8 p -53.02 94.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.405 0.621 . . . . 0.0 110.609 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.444 ' CB ' ' OE1' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -70.39 145.01 51.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.066 -178.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.3 31.71 79.86 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 115.207 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.744 HG11 ' CG2' ' A' ' 452' ' ' VAL . 18.8 m -124.29 9.91 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 117.509 0.654 . . . . 0.0 110.756 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.811 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 3.6 mm -90.05 96.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.759 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 457' ' ' VAL . 2.9 p -83.21 113.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.569 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 494' ' ' HIS . 76.3 tttt -78.3 123.72 27.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.981 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.48 121.09 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.651 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.903 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.06 135.79 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.769 178.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.627 ' O ' HD13 ' A' ' 460' ' ' ILE . 25.8 p -123.24 -161.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 30.4 p -118.21 -10.58 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.32 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.554 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.5 OUTLIER 155.31 -45.03 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 99.9 Cg_exo -43.34 -26.67 0.99 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.804 2.336 . . . . 0.0 112.894 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -37.72 96.51 0.11 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 110.449 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.543 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 11.0 Cg_endo -54.84 -42.5 68.19 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.923 2.415 . . . . 0.0 112.826 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 152.68 -174.43 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.581 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -41.17 97.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.32 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.34 96.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.758 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.543 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 64.0 mm-40 -76.09 -43.85 41.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.486 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 465' ' ' LEU . 75.3 t -65.71 -44.52 93.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 111.035 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.446 ' CB ' HG11 ' A' ' 484' ' ' VAL . 8.4 ptm180 -63.32 -45.21 92.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.576 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 0.3 OUTLIER -65.2 -33.02 75.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.349 179.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.2 OUTLIER -65.85 -82.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.757 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.468 HD12 HG21 ' A' ' 481' ' ' VAL . 1.1 pp -42.99 -40.99 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.931 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 472' ' ' ARG . . . -69.09 -26.03 64.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.86 0.362 . . . . 0.0 110.765 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -72.67 -28.11 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.634 HG21 ' HA ' ' A' ' 506' ' ' VAL . 2.0 mp -77.76 -32.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.819 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 71.2 m -167.36 168.21 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.014 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 497' ' ' PHE . 18.0 m -96.65 153.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.01 -72.97 0.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.464 ' CD2' ' C ' ' A' ' 483' ' ' TYR . 5.2 t80 -143.72 132.19 22.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.379 . . . . 0.0 111.992 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.7 p -95.58 119.69 43.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -97.98 131.68 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.562 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.446 HD23 ' HA2' ' A' ' 489' ' ' GLY . 0.1 OUTLIER -125.14 123.87 40.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.224 179.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 490' ' ' ASP . 12.8 mt -79.23 104.74 10.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.287 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 48.44 33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.508 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . 0.446 ' HA2' HD23 ' A' ' 486' ' ' LEU . . . 65.56 12.75 57.2 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.676 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 487' ' ' LEU . 2.1 t0 -62.41 -159.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.735 0.302 . . . . 0.0 110.797 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.552 ' CA ' HD13 ' A' ' 465' ' ' LEU . 60.4 p -99.99 12.57 36.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.01 111.22 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 141.01 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.526 ' HB3' ' CG2' ' A' ' 456' ' ' ILE . 5.5 m80 -120.07 103.53 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.788 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -83.73 127.96 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 0.0 111.858 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.4 OUTLIER -89.94 130.16 36.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.425 179.478 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 481' ' ' VAL . 2.3 m-85 -109.01 149.51 29.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.07 0.462 . . . . 0.0 111.557 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -18.77 35.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.528 ' C ' HG12 ' A' ' 455' ' ' VAL . 1.7 p -151.76 151.7 28.86 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.55 ' N ' HG12 ' A' ' 455' ' ' VAL . 57.8 Cg_endo -71.21 -38.22 5.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.829 2.353 . . . . 0.0 112.201 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 502' ' ' ASP . 3.0 pp20? -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.409 ' OD2' ' OG1' ' A' ' 499' ' ' THR . 1.0 OUTLIER -61.81 -39.75 92.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.988 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -60.54 -33.31 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -61.72 -37.2 83.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.006 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.41 88.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.023 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.634 ' HA ' HG21 ' A' ' 478' ' ' ILE . 2.6 p -67.93 -43.04 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.913 HG22 ' HB3' ' A' ' 521' ' ' LEU . 2.5 pp -65.7 -32.06 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 0.0 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.502 ' N ' HD12 ' A' ' 507' ' ' ILE . 85.7 m-20 -70.3 -40.62 74.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.299 0.571 . . . . 0.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.6 -26.1 54.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.574 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.518 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -64.57 -12.07 41.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.447 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 40.3 p -50.17 -37.74 36.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.31 0.576 . . . . 0.0 109.834 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.2 -42.52 60.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 517' ' ' HIS . 44.6 mm -41.48 -46.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -44.29 -32.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.076 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -22.98 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -114.56 -51.35 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.762 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.599 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.6 m-70 -146.97 132.48 18.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.661 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.93 102.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.65 ' CH2' HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -108.21 147.5 31.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 111.563 -179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.903 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.3 OUTLIER -109.72 135.86 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.397 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.913 ' HB3' HG22 ' A' ' 507' ' ' ILE . 0.6 OUTLIER -134.44 121.77 21.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -139.01 127.55 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 507' ' ' ILE . 2.5 mp -88.73 119.85 36.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.193 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 2.9 mm? -65.35 141.54 58.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.496 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 1.6 t -144.86 161.59 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.26 -162.15 3.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.497 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 4.6 m-20 -38.85 -30.43 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 110.452 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 526' ' ' GLY . 0.1 OUTLIER -64.43 -46.11 84.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 5.9 pt-20 -66.77 -45.07 79.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -64.07 -33.04 74.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -62.56 -51.87 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.197 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.792 ' HE1' HD11 ' A' ' 536' ' ' ILE . 6.9 t80 -59.76 -43.73 94.19 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.845 ' CE3' HD12 ' A' ' 536' ' ' ILE . 47.8 m95 -61.07 -35.06 75.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.193 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.474 ' O ' HG23 ' A' ' 538' ' ' VAL . 18.1 mm-40 -59.57 -42.62 92.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.848 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.612 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 5.5 pttp -62.57 -39.02 92.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.133 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.845 HD12 ' CE3' ' A' ' 533' ' ' TRP . 14.8 mt -55.83 -59.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.745 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' A' ' 541' ' ' GLN . 2.0 mp -53.47 -54.69 33.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 534' ' ' GLN . 90.9 t -53.61 -39.08 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.188 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 543' ' ' LYS . 38.8 t0 -64.64 -39.29 93.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.683 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -40.31 97.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.392 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 537' ' ' LEU . 5.2 mp0 -62.53 -42.29 99.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.412 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 545' ' ' ASN . . . -61.56 -36.76 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.472 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 539' ' ' ASP . 8.3 mttt -60.35 -35.6 76.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.554 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 544' ' ' LEU . 1.3 tp -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.79 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 542' ' ' ALA . 0.9 OUTLIER 51.89 -92.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 50.6 93.14 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.4 ' C ' ' HG2' ' A' ' 548' ' ' ARG . 58.9 Cg_endo -72.14 84.9 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.64 2.226 . . . . 0.0 112.08 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.4 ' HG2' ' C ' ' A' ' 547' ' ' PRO . 4.6 mmm-85 66.47 147.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.55 160.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 56.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.11 114.33 20.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -92.71 -84.98 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -154.78 136.41 5.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 554' ' ' THR . 2.5 p -67.8 -15.83 63.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 0.0 110.969 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -171.21 66.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LEU . 1.4 ttmm -93.39 52.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' LYS . 0.5 OUTLIER 37.04 37.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mp 62.29 149.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 94.7 m -126.52 -77.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.049 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 67.62 101.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.745 0.307 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 -80.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 440' ' ' HIS . 41.8 m-70 -77.51 179.67 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 439' ' ' HIS . 6.7 m-70 -167.12 88.75 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.755 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 441' ' ' HIS . 49.3 t-80 -134.46 42.56 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.27 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -64.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.762 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.91 112.97 22.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.795 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 48.1 m -49.19 134.97 17.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -112.95 -30.15 7.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.771 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -70.94 -7.63 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 11.6 t -56.48 141.31 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -133.21 88.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.62 71.46 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.206 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -130.61 45.04 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.962 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 22.9 p90 -62.9 115.99 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 452' ' ' VAL . 12.5 p -52.96 102.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.279 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.577 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.4 p -72.21 16.92 0.11 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.02 31.51 0.01 OUTLIER Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.815 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 36.48 87.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 117.095 0.448 . . . . 0.0 110.8 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.542 HG13 ' CD1' ' A' ' 532' ' ' TYR . 5.8 mm -71.55 90.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.033 0.444 . . . . 0.0 111.645 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.588 ' CG1' ' CD2' ' A' ' 521' ' ' LEU . 78.4 t -76.21 109.85 10.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.594 ' HB2' HD21 ' A' ' 524' ' ' LEU . 65.4 tttt -85.02 123.51 30.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.258 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.33 129.05 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.532 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.829 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.05 135.43 58.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.893 0.378 . . . . 0.0 111.038 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.901 ' OG ' HD12 ' A' ' 465' ' ' LEU . 82.5 p -123.21 -166.44 1.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.544 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 11.2 p -120.07 -8.26 9.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.377 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.5 OUTLIER 155.89 -45.39 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 76.0 Cg_exo -42.63 -24.87 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.895 2.397 . . . . 0.0 112.731 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.901 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -40.51 107.29 0.46 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.943 0.401 . . . . 0.0 110.575 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.537 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 51.5 Cg_endo -69.44 -44.84 2.04 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.906 2.404 . . . . 0.0 112.955 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 158.35 -179.65 33.88 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.625 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.7 OUTLIER -61.93 -42.39 99.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.385 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 10.5 ptpt -62.62 -41.58 99.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.537 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 2.4 mp0 -77.25 -43.3 33.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 467' ' ' GLY . 69.5 t -65.48 -43.77 94.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.067 0.46 . . . . 0.0 110.599 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.607 ' HB3' HG11 ' A' ' 484' ' ' VAL . 9.3 ptm180 -62.63 -44.17 96.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.873 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.648 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 39.8 m-20 -59.91 -38.72 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.282 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.7 OUTLIER -64.93 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.623 179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.5 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.5 pp -42.46 -41.7 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.033 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 472' ' ' ARG . . . -69.81 -26.09 64.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.357 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.1 -28.34 62.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.785 HG21 ' HA ' ' A' ' 506' ' ' VAL . 2.5 mp -80.6 -31.76 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.04 158.71 19.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -69.82 110.07 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 475' ' ' LEU . 32.6 m -106.67 148.43 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 496' ' ' ARG . 7.8 tp -61.26 -76.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 484' ' ' VAL . 4.0 t80 -145.85 141.85 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.425 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 484' ' ' VAL . 9.9 p -94.54 112.26 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 50.8 t0 -101.33 85.02 2.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 493' ' ' CYS . 5.6 tt -90.25 126.67 35.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.58 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.548 ' HB3' ' CB ' ' A' ' 490' ' ' ASP . 0.1 OUTLIER -63.46 90.31 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.15 0.5 . . . . 0.0 110.478 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.7 mp0 -33.66 125.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.631 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.57 12.37 80.39 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.93 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 2.5 t0 -123.66 159.07 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 111.153 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 465' ' ' LEU . 2.0 p -92.62 12.43 23.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.072 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -121.64 114.9 21.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.066 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.596 ' HB2' HD12 ' A' ' 486' ' ' LEU . 8.3 t -117.07 143.51 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.559 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.467 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 24.4 m80 -127.41 101.29 6.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.768 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -87.53 134.19 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.696 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 482' ' ' LEU . 2.2 mtm180 -90.91 122.83 33.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.957 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.55 ' N ' ' O ' ' A' ' 454' ' ' GLY . 3.5 m-85 -99.4 149.94 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.048 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -14.68 57.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.561 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -147.68 152.51 41.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.441 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 455' ' ' VAL . 74.4 Cg_endo -73.57 -39.64 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.862 2.375 . . . . 0.0 112.039 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.66 -35.15 80.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.14 -42.57 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.544 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.46 -38.96 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.238 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.6 tp60 -58.73 -41.34 86.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.964 0.411 . . . . 0.0 110.993 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.35 91.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.012 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.785 ' HA ' HG21 ' A' ' 478' ' ' ILE . 3.3 p -68.66 -43.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.749 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.9 pp -66.08 -34.71 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.592 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 511' ' ' THR . 88.2 m-20 -70.31 -40.13 74.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.27 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 1.035 ' CG ' HD12 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -62.3 -13.34 27.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 508' ' ' ASN . 34.1 p -54.03 -35.98 62.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.455 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 513' ' ' ILE . 3.6 mm-40 -62.06 -39.87 93.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.691 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 517' ' ' HIS . 28.5 mm -38.66 -43.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -49.2 -32.02 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.269 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.92 -36.72 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -108.6 -53.82 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 3.0 m-70 -139.29 119.43 13.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.797 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.443 ' SG ' ' CE ' ' A' ' 520' ' ' LYS . 48.3 t -51.72 124.28 12.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.492 ' HE3' HG21 ' A' ' 513' ' ' ILE . 0.2 OUTLIER -139.57 146.13 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.459 0.647 . . . . 0.0 112.05 -179.252 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.829 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.67 134.03 52.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.026 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.035 HD12 ' CG ' ' A' ' 510' ' ' TYR . 0.5 OUTLIER -134.04 117.25 16.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.88 0.371 . . . . 0.0 110.835 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -139.15 142.13 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.008 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 6.3 mt -96.47 119.38 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 458' ' ' LYS . 4.4 mm? -60.07 141.39 55.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 8.6 t -147.75 162.84 38.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 56.97 -152.77 23.17 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.347 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 17.1 t70 -52.35 -30.56 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.622 0.248 . . . . 0.0 111.123 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -46.0 86.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.789 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 12.7 tt0 -67.33 -45.49 76.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.06 0.457 . . . . 0.0 110.43 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.495 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 1.3 pp0? -63.38 -36.25 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -61.52 -51.71 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.838 ' HE1' HD11 ' A' ' 536' ' ' ILE . 27.3 t80 -56.36 -43.17 78.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.506 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.537 ' NE1' HG12 ' A' ' 456' ' ' ILE . 40.1 m95 -61.55 -42.06 98.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 46.5 mm-40 -51.58 -44.26 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.906 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -62.8 -40.17 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.168 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.838 HD11 ' HE1' ' A' ' 532' ' ' TYR . 55.2 mt -62.39 -65.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.5 -59.29 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.129 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 40.9 t -49.31 -39.47 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.997 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 6.9 t70 -64.29 -37.79 88.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.64 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -62.08 -41.51 98.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.98 -42.5 99.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.95 72.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.369 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -60.56 -17.95 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.592 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 544' ' ' LEU . 3.0 tm? -61.11 -36.2 79.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.979 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -151.77 145.72 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 545' ' ' ASN . 0.1 OUTLIER 38.92 91.44 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.95 82.09 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.884 2.389 . . . . 0.0 112.485 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 127.58 35.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.98 179.57 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.99 156.59 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.777 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -150.82 36.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.85 164.52 23.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 163.88 142.51 3.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.286 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.78 136.23 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -138.34 144.47 40.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -100.61 138.5 37.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.258 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.77 40.59 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.1 106.71 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.298 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.99 166.62 33.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.54 121.17 43.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.944 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 438' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.257 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 437' ' ' MET . 14.6 m80 87.41 141.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.009 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 440' ' ' HIS . 7.5 m-70 -123.2 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 439' ' ' HIS . 79.1 t60 70.12 70.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.074 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 442' ' ' HIS . 2.4 p80 -127.83 -40.07 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 441' ' ' HIS . 3.2 t-80 80.58 130.54 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -86.86 71.54 10.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 445' ' ' ASN . 3.2 m -121.26 -44.35 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 444' ' ' SER . 0.7 OUTLIER 166.29 161.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -147.72 40.57 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 6.3 m -169.91 144.84 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 145.71 101.1 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.551 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.45 140.18 64.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.219 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -113.16 21.72 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.992 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 24.1 p90 -78.33 131.62 37.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.724 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.788 HG22 ' CG1' ' A' ' 455' ' ' VAL . 11.8 p -48.93 98.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.419 0.628 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.94 145.87 51.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.415 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.516 ' N ' ' OE2' ' A' ' 529' ' ' GLU . . . 66.65 31.86 79.76 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.223 -0.899 . . . . 0.0 114.935 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.788 ' CG1' HG22 ' A' ' 452' ' ' VAL . 10.1 m -109.44 -12.77 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 117.101 0.45 . . . . 0.0 110.703 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.674 HG22 HD23 ' A' ' 524' ' ' LEU . 8.1 mm -79.83 93.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 521' ' ' LEU . 19.7 t -86.9 108.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.844 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.468 ' HB2' HD21 ' A' ' 524' ' ' LEU . 10.9 tttp -74.23 123.88 25.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.165 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 8.4 mt -113.6 128.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.643 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 520' ' ' LYS . 6.8 tp -131.56 133.49 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.3 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.539 ' HB3' ' NE1' ' A' ' 519' ' ' TRP . 6.3 p -126.12 -162.88 1.17 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.083 0.468 . . . . 0.0 111.209 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 29.9 p -128.19 1.05 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.384 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 2.7 mm-40 160.84 -49.07 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 77.9 Cg_exo -39.8 -34.53 0.85 Allowed 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 112.513 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.527 HD12 ' CB ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -41.28 99.91 0.21 Allowed Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 121.128 0.49 . . . . 0.0 110.719 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.563 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 73.8 Cg_endo -76.18 -41.6 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.151 2.567 . . . . 0.0 113.145 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 157.96 179.66 33.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.343 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 486' ' ' LEU . 0.0 OUTLIER -61.86 -43.19 99.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 111.019 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 17.9 ptmt -63.68 -45.42 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.461 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.563 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 20.4 mm-40 -76.08 -43.98 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.372 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.441 HG22 ' CH2' ' A' ' 519' ' ' TRP . 47.6 t -64.3 -41.23 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.285 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.751 ' HA ' HG21 ' A' ' 484' ' ' VAL . 2.7 ptt85 -63.44 -42.68 98.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.351 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.545 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.9 OUTLIER -64.14 -35.37 80.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.8 ' O ' HD12 ' A' ' 478' ' ' ILE . 1.3 p -66.61 -58.02 6.03 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.756 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.9 pp -62.11 -40.12 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.643 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.48 -24.71 64.72 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.221 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.2 -29.72 63.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.248 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 474' ' ' THR . 2.2 mp -80.4 -32.74 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.1 OUTLIER -161.63 159.74 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -73.01 107.13 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.798 HG12 ' CE2' ' A' ' 497' ' ' PHE . 16.2 m -102.23 164.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 482' ' ' LEU . 0.5 OUTLIER -86.01 -70.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.852 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 2.5 t80 -145.38 139.62 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.321 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 472' ' ' ARG . 52.6 t -106.19 115.67 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -100.89 88.03 3.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.428 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.816 HD12 ' HB2' ' A' ' 493' ' ' CYS . 0.2 OUTLIER -88.07 128.66 35.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.566 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.828 HD22 ' CG ' ' A' ' 492' ' ' GLU . 7.7 mp -62.18 78.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.983 0.421 . . . . 0.0 110.342 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 486' ' ' LEU . 12.0 tm-20 -32.18 128.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.371 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.98 11.01 81.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.757 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 487' ' ' LEU . 7.4 t0 -118.03 177.91 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.993 0.425 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -103.36 4.62 36.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.363 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.828 ' CG ' HD22 ' A' ' 487' ' ' LEU . 16.2 pt-20 -131.12 138.28 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 111.606 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.816 ' HB2' HD12 ' A' ' 486' ' ' LEU . 0.6 OUTLIER -131.16 144.68 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.129 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -119.05 98.64 6.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.757 0.313 . . . . 0.0 111.282 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.19 130.93 35.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -99.42 135.27 41.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.993 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.798 ' CE2' HG12 ' A' ' 481' ' ' VAL . 1.9 m-85 -110.96 148.41 32.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.533 ' O ' HG21 ' A' ' 452' ' ' VAL . 0.0 OUTLIER -67.5 -18.46 65.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.04 152.91 56.08 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.256 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.58 -37.97 2.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.797 2.331 . . . . 0.0 112.285 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -64.12 -38.61 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -42.18 80.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.3 -38.81 88.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.54 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.03 92.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.812 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.693 HG23 ' CG2' ' A' ' 478' ' ' ILE . 6.2 p -68.47 -41.9 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.757 HG22 HD11 ' A' ' 521' ' ' LEU . 1.8 pt -62.57 -30.97 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.531 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.495 ' N ' HG13 ' A' ' 507' ' ' ILE . 79.1 m-20 -69.38 -39.38 78.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.384 0.612 . . . . 0.0 109.734 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -75.69 -24.19 56.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.203 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.86 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -52.45 -17.57 1.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.159 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 39.6 p -48.49 -35.81 13.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.376 0.607 . . . . 0.0 109.46 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.95 -21.86 65.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.633 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.618 HG21 ' HB3' ' A' ' 519' ' ' TRP . 10.0 mm -62.88 -47.14 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 111.416 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.87 -30.36 61.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 111.357 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -58.35 -32.21 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -102.87 -52.22 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.0 m-70 -149.99 132.26 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 106.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.618 ' HB3' HG21 ' A' ' 513' ' ' ILE . 1.0 OUTLIER -127.65 139.49 52.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.211 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.78 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.7 OUTLIER -109.72 131.22 55.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.732 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.86 HD13 ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -138.05 109.65 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.789 178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -115.92 139.87 49.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.972 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 507' ' ' ILE . 11.6 mt -91.54 120.15 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.705 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.674 HD23 HG22 ' A' ' 456' ' ' ILE . 1.0 OUTLIER -63.55 138.69 58.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.284 179.405 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' A' ' 529' ' ' GLU . 0.4 OUTLIER -142.55 160.96 39.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.028 0.442 . . . . 0.0 111.489 -179.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 51.05 -152.55 4.98 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.581 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.9 -30.99 0.29 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.807 0.337 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.507 ' CG ' HD12 ' A' ' 524' ' ' LEU . 1.8 t-160 -65.3 -46.63 79.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.516 ' OE2' ' N ' ' A' ' 454' ' ' GLY . 11.1 pt-20 -67.38 -46.17 74.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 121.007 0.432 . . . . 0.0 110.313 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 1.3 pp0? -63.98 -35.7 81.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.417 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -58.67 -55.85 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.155 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.687 ' HE1' HD11 ' A' ' 536' ' ' ILE . 25.9 t80 -61.73 -43.46 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.757 0.313 . . . . 0.0 110.772 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.809 ' CE3' HD12 ' A' ' 536' ' ' ILE . 20.7 m95 -61.01 -40.51 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.355 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 538' ' ' VAL . 42.6 mm-40 -57.37 -43.95 83.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.161 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.67 -36.32 82.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.048 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.809 HD12 ' CE3' ' A' ' 533' ' ' TRP . 54.0 mt -58.02 -61.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.738 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 541' ' ' GLN . 4.0 mm? -49.33 -50.41 39.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 534' ' ' GLN . 65.9 t -56.8 -39.61 65.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -64.9 -38.35 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -62.79 -41.35 99.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.653 179.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.492 ' CA ' ' OE1' ' A' ' 541' ' ' GLN . 1.1 mm-40 -62.7 -42.06 99.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.189 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 543' ' ' LYS . . . -60.64 -36.69 79.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.592 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 540' ' ' ARG . 0.3 OUTLIER -37.06 -34.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.647 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 542' ' ' ALA . 65.0 tp -41.28 -36.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -83.16 91.73 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.18 126.16 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.49 -171.11 1.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.825 2.35 . . . . 0.0 112.294 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 549' ' ' GLU . 4.6 mtt-85 -112.87 -166.52 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 548' ' ' ARG . 0.7 OUTLIER 76.71 82.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 551' ' ' LYS . 0.8 OUTLIER -92.2 165.68 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.087 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 550' ' ' LYS . 4.4 mttt 40.03 95.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.022 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -29.19 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 153.19 -66.99 0.32 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 70.5 p -118.54 78.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 111.277 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.9 146.42 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -131.94 120.74 22.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 154.33 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 559' ' ' THR . 1.0 OUTLIER -78.82 -174.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.22 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 558' ' ' ILE . 0.0 OUTLIER -36.6 159.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.22 88.83 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.007 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 438' ' ' HIS . 1.2 ptt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.79 0.329 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 437' ' ' MET . 0.2 OUTLIER 169.32 -81.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 68.49 51.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -158.09 46.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.91 -177.29 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.046 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -119.64 116.26 25.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -150.8 -44.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 89.4 p -117.53 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -106.75 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.683 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -124.31 45.22 2.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 448' ' ' GLY . 30.0 p -110.62 49.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 447' ' ' THR . . . 53.86 106.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.45 108.92 2.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.84 2.36 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 36.07 77.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.5 ' CD2' ' C ' ' A' ' 451' ' ' PHE . 0.0 OUTLIER -90.3 52.28 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.993 179.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 451' ' ' PHE . 2.7 p 23.2 82.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.616 0.573 . . . . 0.0 111.743 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.9 OUTLIER -72.61 17.32 0.11 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.37 31.09 0.01 OUTLIER Glycine 0 C--N 1.336 0.574 0 C-N-CA 121.184 -0.531 . . . . 0.0 113.885 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.669 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.3 OUTLIER 32.89 88.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.875 0.338 . . . . 0.0 111.309 -179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.84 HD11 ' CE2' ' A' ' 533' ' ' TRP . 26.0 mm -71.59 124.75 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 497' ' ' PHE . 72.0 t -112.8 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.525 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 27.7 tttt -72.97 115.21 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.985 0.421 . . . . 0.0 111.303 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.445 HG12 HD12 ' A' ' 521' ' ' LEU . 33.4 mt -112.23 124.6 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.837 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.813 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.75 133.27 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.359 179.087 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.811 ' OG ' HD12 ' A' ' 465' ' ' LEU . 78.4 p -116.11 -172.85 2.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 111.381 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.0 p -110.89 -14.94 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.766 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.7 OUTLIER 156.01 -45.53 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 93.6 Cg_exo -43.57 -25.83 0.96 Allowed 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.944 2.429 . . . . 0.0 112.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.922 HD21 HG21 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -37.69 107.57 0.4 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 110.516 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.547 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 27.8 Cg_endo -62.65 -43.21 22.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.844 2.363 . . . . 0.0 112.772 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.919 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 151.93 -174.69 30.92 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.283 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.589 ' HA ' HD13 ' A' ' 486' ' ' LEU . 12.7 ptt85 -62.8 -41.38 99.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 111.027 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 470' ' ' GLN . 1.8 ptpt -61.55 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.504 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.547 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 8.7 mm-40 -78.44 -43.68 26.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.273 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.922 HG21 HD21 ' A' ' 465' ' ' LEU . 44.0 t -64.03 -44.4 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 0.0 110.334 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 31.4 ptt180 -63.73 -44.03 94.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 1.7 m-20 -61.75 -38.5 88.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.58 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 477' ' ' ALA . 5.2 p -64.95 -79.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.05 0.452 . . . . 0.0 110.62 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.542 ' CD2' HG12 ' A' ' 471' ' ' VAL . 0.6 OUTLIER -43.12 -41.35 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.806 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 472' ' ' ARG . . . -69.52 -27.15 64.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.803 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.676 ' CG2' HG22 ' A' ' 506' ' ' VAL . 3.1 mp -80.84 -31.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 3.4 t -168.5 173.19 7.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.81 112.35 19.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.874 HG12 ' CE1' ' A' ' 497' ' ' PHE . 27.1 m -90.76 160.48 2.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 483' ' ' TYR . 13.5 tp -86.48 -30.01 22.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.511 ' HB2' ' O ' ' A' ' 482' ' ' LEU . 3.8 t80 170.76 126.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.887 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.4 p -104.27 112.85 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.401 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -98.52 131.6 44.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.621 HD23 ' HB3' ' A' ' 493' ' ' CYS . 0.7 OUTLIER -129.67 129.87 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 490' ' ' ASP . 1.3 mm? -68.49 83.46 0.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.614 0.245 . . . . 0.0 110.398 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 487' ' ' LEU . 9.4 pt-20 -29.06 122.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.41 80.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.835 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 487' ' ' LEU . 3.7 t70 -113.53 158.17 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.6 p -92.72 13.78 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.327 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -118.94 116.12 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.621 ' HB3' HD23 ' A' ' 486' ' ' LEU . 0.8 OUTLIER -126.91 145.07 50.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.764 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.525 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 26.6 m80 -127.56 107.08 9.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -95.62 121.99 37.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 112.042 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -88.56 143.15 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.018 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.874 ' CE1' HG12 ' A' ' 481' ' ' VAL . 2.1 m-85 -122.63 154.85 37.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.984 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.42 -19.47 42.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.628 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.4 OUTLIER -135.7 151.75 74.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.669 ' HA ' HG11 ' A' ' 455' ' ' VAL . 56.9 Cg_endo -72.49 -34.71 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.846 2.364 . . . . 0.0 112.5 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.4 -39.69 94.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.261 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.779 ' O ' HG23 ' A' ' 506' ' ' VAL . 85.1 m-20 -61.19 -45.11 95.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.479 ' O ' HG12 ' A' ' 507' ' ' ILE . . . -67.61 -42.64 82.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.52 ' O ' HG13 ' A' ' 507' ' ' ILE . 6.6 tt0 -62.45 -42.02 99.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.04 90.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.672 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 502' ' ' ASP . 40.4 t -68.7 -43.25 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.968 HG22 ' HB3' ' A' ' 521' ' ' LEU . 0.7 OUTLIER -66.7 -37.71 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.367 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 511' ' ' THR . 78.5 m-20 -70.94 -41.53 71.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.682 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.76 -25.82 53.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.951 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.488 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.3 OUTLIER -61.73 -11.79 13.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -178.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 508' ' ' ASN . 50.9 p -52.38 -35.94 52.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 515' ' ' LYS . 10.1 tt0 -56.85 -31.41 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.171 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 519' ' ' TRP . 7.8 mm -47.81 -46.04 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . 0.479 ' ND2' ' SG ' ' A' ' 518' ' ' CYS . 6.3 t-20 -46.9 -31.88 3.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -48.37 -28.47 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.786 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.559 ' CG ' ' NE2' ' A' ' 517' ' ' HIS . 0.1 OUTLIER -120.15 -40.55 2.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.51 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 513' ' ' ILE . 10.4 m-70 -151.23 132.84 14.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.534 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.496 ' O ' ' NZ ' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -68.89 103.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.672 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -108.01 146.42 32.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.225 0.536 . . . . 0.0 111.119 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 1.067 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -109.37 133.53 52.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.517 -179.346 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.067 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.1 OUTLIER -136.96 121.18 17.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.714 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -139.07 138.42 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.33 115.6 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.705 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 524' ' ' LEU . 0.3 OUTLIER -57.86 140.95 50.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 t -145.23 161.87 38.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 49.31 -154.69 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.615 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 531' ' ' ARG . 5.8 m-20 -42.57 -30.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.697 0.284 . . . . 0.0 110.83 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -47.53 79.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.519 ' OE2' ' CB ' ' A' ' 453' ' ' SER . 4.3 tt0 -68.37 -45.13 73.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.563 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 1.2 tt0 -62.96 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.121 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 0.0 OUTLIER -60.58 -54.24 47.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.101 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.92 ' HE1' HD11 ' A' ' 536' ' ' ILE . 28.4 t80 -55.3 -44.1 75.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.03 0.443 . . . . 0.0 110.776 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.84 ' CE2' HD11 ' A' ' 456' ' ' ILE . 31.9 m95 -62.42 -41.08 98.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 179.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 538' ' ' VAL . 10.9 mm100 -50.75 -44.48 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.61 -40.24 96.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.011 179.279 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.92 HD11 ' HE1' ' A' ' 532' ' ' TYR . 58.4 mt -64.29 -66.64 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.086 0.47 . . . . 0.0 110.916 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.2 mt -48.9 -47.1 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.065 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 534' ' ' GLN . 73.8 t -64.16 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.08 -39.45 93.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -63.57 -41.55 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.792 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.18 -34.1 76.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -61.68 -20.42 63.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -31.01 62.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.26 162.32 18.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.258 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 548' ' ' ARG . 3.1 tt0 -169.95 77.99 0.64 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.28 73.58 0.08 OUTLIER 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.781 2.32 . . . . 0.0 112.208 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 546' ' ' GLN . 0.0 OUTLIER -93.94 76.96 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.729 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.96 62.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 552' ' ' ARG . 0.4 OUTLIER -108.19 24.38 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 45.35 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 550' ' ' LYS . 0.3 OUTLIER -72.08 130.5 41.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.82 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 151.5 -104.79 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.71 -177.55 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -129.77 -163.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -135.61 15.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 166.45 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 559' ' ' THR . 0.0 OUTLIER -125.49 171.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 558' ' ' ILE . 12.6 t 44.75 -172.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.022 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 560' ' ' LYS . 0.0 OUTLIER -81.04 60.78 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.656 179.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.894 -179.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 437' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.748 0.308 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.54 -52.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.35 178.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -127.35 50.12 2.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.477 ' C ' ' CG ' ' A' ' 442' ' ' HIS . 0.1 OUTLIER -106.52 -159.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.779 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 441' ' ' HIS . 7.2 m-70 -157.62 173.62 16.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 445' ' ' ASN . 0.0 OUTLIER -132.43 139.35 47.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 445' ' ' ASN . 9.8 t 50.61 -91.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 11.3 m-80 82.77 -65.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.78 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 445' ' ' ASN . . . 71.89 119.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 1.3 m -97.64 34.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 155.62 80.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.28 96.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.375 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 450' ' ' GLN . 0.7 OUTLIER 64.14 67.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 36.0 p90 -67.12 116.07 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 452' ' ' VAL . 18.5 m -54.7 104.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.558 ' O ' ' N ' ' A' ' 455' ' ' VAL . 0.2 OUTLIER -72.34 18.02 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 32.43 30.55 0.01 OUTLIER Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.363 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.1 OUTLIER 40.44 103.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.93 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.61 HD11 ' CE2' ' A' ' 533' ' ' TRP . 27.9 mm -92.69 126.13 45.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.238 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 494' ' ' HIS . 57.7 t -112.63 119.12 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.13 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -89.19 116.74 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 14.2 mt -112.15 122.12 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.887 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.1 OUTLIER -131.36 133.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.391 179.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.962 ' HB3' HD12 ' A' ' 465' ' ' LEU . 12.6 p -104.07 176.09 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.335 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 0.7 OUTLIER -91.32 -13.85 31.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.985 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 462' ' ' THR . 0.3 OUTLIER 158.81 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 90.3 Cg_endo -83.6 58.33 5.96 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.897 2.398 . . . . 0.0 112.847 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.962 HD12 ' HB3' ' A' ' 461' ' ' SER . 1.0 OUTLIER -78.32 124.22 85.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.52 ' HB3' ' HB3' ' A' ' 470' ' ' GLN . 77.7 Cg_exo -46.01 -56.13 3.11 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.591 2.194 . . . . 0.0 112.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 470' ' ' GLN . . . 127.32 141.81 5.43 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.971 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.832 ' HD3' HD22 ' A' ' 486' ' ' LEU . 9.8 ptt85 -29.51 -43.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 4.6 ptmt -63.92 -46.38 85.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 110.773 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 467' ' ' GLY . 51.4 mt-30 -80.02 -43.36 22.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.568 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.651 HG21 HD21 ' A' ' 465' ' ' LEU . 87.9 t -57.94 -44.98 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.091 0.472 . . . . 0.0 110.124 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.564 ' HA ' HG21 ' A' ' 484' ' ' VAL . 13.7 ptt180 -64.19 -45.13 89.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.627 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.552 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.4 OUTLIER -62.44 -39.49 93.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.531 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.6 OUTLIER -62.3 -78.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.864 179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.787 ' CD1' HG21 ' A' ' 481' ' ' VAL . 4.1 pp -40.87 -41.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.339 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.621 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.08 -27.33 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.46 -29.35 62.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.758 HD13 ' HE2' ' A' ' 510' ' ' TYR . 1.6 mp -81.57 -31.91 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.59 155.58 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.006 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -70.18 107.17 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.767 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.787 HG21 ' CD1' ' A' ' 475' ' ' LEU . 6.8 m -102.47 165.4 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 482' ' ' LEU . 0.0 OUTLIER -87.65 -68.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -151.18 141.5 22.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.479 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 472' ' ' ARG . 13.6 t -102.82 118.0 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.95 87.87 3.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.832 HD22 ' HD3' ' A' ' 468' ' ' ARG . 9.2 tt -94.01 130.6 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.735 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.766 HD13 ' HG3' ' A' ' 492' ' ' GLU . 1.0 OUTLIER -60.85 99.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.393 . . . . 0.0 110.746 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.8 tm-20 -35.68 114.31 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.52 13.06 83.04 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.124 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 6.5 t0 -116.05 150.8 36.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.982 0.42 . . . . 0.0 111.417 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 5.6 p -83.87 13.67 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.34 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.766 ' HG3' HD13 ' A' ' 487' ' ' LEU . 20.7 pt-20 -127.12 131.15 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.529 ' HB3' ' CB ' ' A' ' 486' ' ' LEU . 0.5 OUTLIER -129.65 147.4 51.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.492 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 12.4 m80 -126.59 100.91 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.531 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -88.43 135.56 33.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.192 0.52 . . . . 0.0 111.989 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -98.5 133.58 42.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.049 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.726 ' CE1' HG12 ' A' ' 481' ' ' VAL . 1.4 m-85 -112.57 157.46 21.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -19.26 37.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.44 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.519 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -139.1 151.51 67.95 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 0.0 111.458 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.69 -40.11 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.897 2.398 . . . . 0.0 112.522 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.13 -36.76 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.33 -41.09 98.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.43 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.508 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.24 -43.27 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.023 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.0 tt0 -62.9 -38.62 91.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.2 92.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.94 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 503' ' ' ALA . 6.3 p -69.41 -43.59 80.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' A' ' 521' ' ' LEU . 0.9 OUTLIER -67.11 -38.1 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 111.28 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 504' ' ' GLN . 89.3 m-20 -70.14 -40.97 74.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.454 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.3 -22.39 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.501 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.758 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.4 OUTLIER -59.54 -13.16 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.328 -178.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 55.8 p -49.53 -37.18 25.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.279 0.561 . . . . 0.0 109.649 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 515' ' ' LYS . 45.5 tt0 -55.66 -27.35 49.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.394 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.533 HG21 ' HB2' ' A' ' 519' ' ' TRP . 6.5 mm -53.46 -46.87 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -43.38 -32.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.996 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 512' ' ' GLU . 7.7 mttm -46.35 -26.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.335 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.624 ' HG3' ' CE1' ' A' ' 517' ' ' HIS . 0.1 OUTLIER -122.06 -42.12 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.474 179.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.624 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 1.7 m-70 -148.68 132.94 17.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.723 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.415 ' O ' ' HE2' ' A' ' 520' ' ' LYS . 0.8 OUTLIER -70.59 90.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.181 179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.533 ' HB2' HG21 ' A' ' 513' ' ' ILE . 0.0 OUTLIER -87.8 149.63 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.527 0.68 . . . . 0.0 112.185 -178.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 1.035 ' O ' HD13 ' A' ' 521' ' ' LEU . 5.5 mmtt -109.29 128.51 55.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.035 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.4 OUTLIER -132.65 124.41 28.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.929 0.395 . . . . 0.0 111.529 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -140.5 136.48 32.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.557 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 507' ' ' ILE . 2.8 mt -93.53 118.97 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 15.5 mt -56.38 136.65 53.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.56 161.61 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.113 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 52.53 -143.05 23.65 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.65 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -30.06 53.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.642 0.258 . . . . 0.0 111.022 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -64.22 -46.72 82.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.214 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 10.2 tt0 -67.52 -45.98 74.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.035 0.445 . . . . 0.0 110.724 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -63.38 -40.1 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.618 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -56.31 -56.19 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.864 ' HE1' HD11 ' A' ' 536' ' ' ILE . 35.8 t80 -54.55 -43.92 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 0.0 110.669 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.61 ' CE2' HD11 ' A' ' 456' ' ' ILE . 36.5 m95 -62.66 -40.16 96.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.684 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 530' ' ' GLN . 4.9 mt-30 -51.81 -44.04 63.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 539' ' ' ASP . 0.0 OUTLIER -62.98 -39.68 95.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.903 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.864 HD11 ' HE1' ' A' ' 532' ' ' TYR . 13.9 mt -63.12 -66.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -53.84 43.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.123 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.446 ' HA ' ' OE1' ' A' ' 541' ' ' GLN . 51.2 t -53.55 -39.04 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 13.1 t70 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -62.39 -40.91 98.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' A' ' 538' ' ' VAL . 1.4 mt-30 -62.69 -42.96 99.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.453 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.12 73.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 539' ' ' ASP . 9.8 mmtt -64.31 -34.76 78.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 544' ' ' LEU . 0.8 OUTLIER -45.91 -24.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.0 95.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.806 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.05 85.93 46.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 548' ' ' ARG . 32.5 Cg_exo -57.52 -151.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.707 2.271 . . . . 0.0 112.197 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 84.39 120.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -124.56 127.75 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.733 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -63.58 146.01 54.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -128.38 177.49 6.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -104.05 -11.2 17.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.017 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 152.79 -97.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.656 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 554' ' ' THR . 0.2 OUTLIER -135.97 84.62 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.329 . . . . 0.0 111.203 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -125.85 36.56 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 557' ' ' LEU . 0.3 OUTLIER -103.23 153.45 20.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 556' ' ' LYS . 0.9 OUTLIER 36.78 59.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.652 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.45 127.97 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.26 131.85 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.662 ' O ' ' HB2' ' A' ' 561' ' ' ALA . 0.0 OUTLIER -94.71 74.73 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 439' ' ' HIS . 18.6 m170 -90.52 91.61 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.782 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 438' ' ' HIS . 0.2 OUTLIER 79.95 174.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 441' ' ' HIS . 30.1 m170 -133.78 -50.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 442' ' ' HIS . 21.0 p80 35.2 43.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 441' ' ' HIS . 23.1 p80 -37.22 137.83 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 442' ' ' HIS . 0.0 OUTLIER -35.53 99.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -64.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.55 113.14 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.79 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -87.92 -19.16 27.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 58.15 173.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.038 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 83.23 169.31 44.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.592 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 450' ' ' GLN . 32.1 Cg_exo -58.52 145.8 93.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.851 2.367 . . . . 0.0 112.39 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 449' ' ' PRO . 4.6 tp-100 159.05 95.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 451' ' ' PHE . 6.6 p90 -56.09 112.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.009 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 452' ' ' VAL . 4.7 m -53.64 97.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.57 ' HB2' ' CD1' ' A' ' 533' ' ' TRP . 0.6 OUTLIER -73.0 17.99 0.11 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 32.37 30.99 0.01 OUTLIER Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.373 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.2 OUTLIER 38.5 95.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.814 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.492 HG22 HD23 ' A' ' 524' ' ' LEU . 23.0 mm -74.84 126.78 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.393 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.793 HG21 ' CE2' ' A' ' 497' ' ' PHE . 37.3 t -112.9 109.2 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.692 ' HB2' HD21 ' A' ' 524' ' ' LEU . 20.1 tttt -87.81 119.61 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.447 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.64 124.38 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.718 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.81 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.69 136.19 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 179.103 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.676 ' HB3' HD12 ' A' ' 465' ' ' LEU . 24.0 t -125.92 -164.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.052 0.453 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 16.2 p -113.17 -14.51 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.505 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.54 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 2.5 mt-10 157.89 -46.14 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.056 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 72.7 Cg_exo -40.47 -24.99 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.656 2.237 . . . . 0.0 112.572 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -36.62 101.05 0.21 Allowed Pre-proline 0 C--N 1.332 -0.165 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.551 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 19.8 Cg_endo -61.36 -42.86 31.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.869 2.379 . . . . 0.0 112.737 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 152.88 -177.12 30.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.5 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.07 -40.43 95.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.958 0.408 . . . . 0.0 110.773 179.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.18 -44.4 96.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.407 -179.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.551 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 8.6 mm-40 -77.0 -43.85 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.55 HG11 ' SG ' ' A' ' 493' ' ' CYS . 79.4 t -64.52 -44.07 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 0.0 110.405 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 13.4 ptm180 -63.13 -42.46 99.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.85 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.89 -42.67 98.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.388 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 477' ' ' ALA . 2.3 p -61.32 -77.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.892 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.8 pp -42.75 -41.09 3.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.477 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.24 -26.13 64.64 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -71.54 -29.06 64.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.377 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.942 HD13 HG23 ' A' ' 506' ' ' VAL . 2.7 mp -81.1 -31.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.056 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.4 OUTLIER -162.75 168.63 21.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.361 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -84.3 69.58 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.892 HG21 ' CD1' ' A' ' 475' ' ' LEU . 29.3 m -51.25 148.26 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.248 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -70.27 -75.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.744 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -141.25 130.78 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 2.5 p -107.72 120.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.048 0.452 . . . . 0.0 111.88 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.5 131.62 47.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.142 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 1.028 HD12 ' N ' ' A' ' 487' ' ' LEU . 0.4 OUTLIER -123.05 130.29 52.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 1.028 ' N ' HD12 ' A' ' 486' ' ' LEU . 0.1 OUTLIER -69.12 108.11 3.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.834 0.349 . . . . 0.0 111.868 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 34.84 37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.332 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 490' ' ' ASP . . . 68.89 2.23 29.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.45 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 489' ' ' GLY . 5.9 t0 -54.46 -159.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.677 0.275 . . . . 0.0 110.643 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.555 ' CA ' HD13 ' A' ' 465' ' ' LEU . 7.6 p -101.13 7.08 43.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 492' ' ' GLU . 7.6 pt-20 -119.58 111.36 17.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.802 ' HB3' HD13 ' A' ' 486' ' ' LEU . 3.2 p -133.11 147.34 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 8.6 m80 -127.87 118.91 24.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.197 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -101.23 136.05 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 112.185 -178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.591 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -92.44 131.26 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.182 178.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.793 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.8 m-85 -108.68 153.57 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.618 ' HB3' HD12 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -82.87 -20.02 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.729 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 1.2 p -139.36 150.06 62.72 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.539 ' HA ' HG11 ' A' ' 455' ' ' VAL . 54.2 Cg_endo -70.03 -35.89 11.04 Favored 'Trans proline' 0 C--N 1.34 0.104 0 C-N-CA 122.9 2.4 . . . . 0.0 112.574 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 502' ' ' ASP . 8.9 pt-20 -61.37 -39.7 91.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.196 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 506' ' ' VAL . 0.6 OUTLIER -59.96 -43.77 94.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.99 83.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.36 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.517 ' O ' HG13 ' A' ' 507' ' ' ILE . 5.7 tt0 -61.95 -43.7 98.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.198 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.991 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.942 HG23 HD13 ' A' ' 478' ' ' ILE . 4.6 p -68.62 -43.52 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.8 pp -64.79 -32.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.363 . . . . 0.0 111.038 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -70.53 -40.22 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.21 -23.41 54.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.987 ' CG ' HD12 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -60.63 -18.98 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 58.0 p -52.17 -37.08 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 515' ' ' LYS . 2.6 mm-40 -56.08 -43.76 78.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.158 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 517' ' ' HIS . 8.1 mm -40.36 -46.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -44.39 -31.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -55.66 -30.12 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -110.65 -43.06 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.452 179.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.537 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 4.8 m-70 -154.17 133.32 12.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 14.0 m -62.23 107.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.5 OUTLIER -119.98 144.15 47.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.272 0.558 . . . . 0.0 111.61 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.81 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.2 OUTLIER -109.55 134.26 52.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.541 -179.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.987 HD12 ' CG ' ' A' ' 510' ' ' TYR . 0.6 OUTLIER -137.08 117.32 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.676 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.47 143.44 37.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 4.0 mt -94.48 120.45 43.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.229 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.692 HD21 ' HB2' ' A' ' 458' ' ' LYS . 4.4 mm? -61.06 141.8 57.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.03 162.02 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.039 0.447 . . . . 0.0 111.429 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 52.66 -146.18 17.58 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.881 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.9 m-20 -52.38 -29.76 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.545 ' HB3' HD12 ' A' ' 524' ' ' LEU . 0.1 OUTLIER -63.97 -47.15 81.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.221 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.522 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 3.6 tt0 -68.4 -46.13 70.79 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 111.159 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 3.8 pp0? -63.54 -39.72 95.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.595 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 2.2 tmt_? -57.95 -56.35 23.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.815 ' HE1' HD11 ' A' ' 536' ' ' ILE . 31.2 t80 -53.32 -42.92 67.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.484 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.661 ' CE3' HD12 ' A' ' 536' ' ' ILE . 34.4 m95 -60.99 -40.04 91.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.293 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 538' ' ' VAL . 40.2 mm-40 -52.54 -43.14 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.515 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.33 -40.25 95.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.141 179.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.815 HD11 ' HE1' ' A' ' 532' ' ' TYR . 47.7 mt -63.14 -66.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.033 0.444 . . . . 0.0 110.991 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -58.39 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.515 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 534' ' ' GLN . 99.4 t -50.79 -38.79 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.627 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 28.3 t0 -64.07 -38.79 92.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.995 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -41.53 98.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -63.35 -41.74 98.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.82 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.355 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -16.05 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.794 ' O ' HD13 ' A' ' 544' ' ' LEU . 3.1 tm? -61.23 -21.38 63.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.296 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 546' ' ' GLN . 0.3 OUTLIER -131.47 -167.0 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.222 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 545' ' ' ASN . 7.4 mt-30 68.07 53.61 0.61 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 546' ' ' GLN . 88.6 Cg_endo -78.54 96.7 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.795 2.33 . . . . 0.0 112.425 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.57 36.65 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -117.51 84.45 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.11 120.98 15.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.1 64.07 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.003 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.98 104.39 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 176.58 42.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.73 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.9 t -79.06 -38.43 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -176.72 76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -71.96 57.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.0 mt 58.45 166.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.88 96.74 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 6.0 t -128.42 155.21 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -57.25 120.52 8.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.957 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . 0.449 ' O ' ' CB ' ' A' ' 438' ' ' HIS . 4.0 mtt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.833 0.349 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 437' ' ' MET . 2.2 t60 79.83 176.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.747 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.511 ' O ' ' CB ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -170.54 156.77 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.978 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 439' ' ' HIS . 1.5 t-160 84.08 75.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.795 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -106.02 48.5 0.84 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -105.43 -178.53 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.841 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -61.13 173.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 -66.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -45.96 162.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -159.01 -152.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 32.2 p -129.57 144.32 51.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.349 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -85.49 -141.48 5.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.439 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.2 77.72 1.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.03 2.487 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 40.16 47.28 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 6.8 p90 -49.98 121.55 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.363 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.11 113.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.3 OUTLIER -72.25 16.06 0.15 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.79 31.49 0.01 OUTLIER Glycine 0 C--N 1.337 0.605 0 C-N-CA 121.171 -0.538 . . . . 0.0 113.772 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.593 HG21 ' C ' ' A' ' 499' ' ' THR . 0.8 OUTLIER 40.38 93.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.189 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.623 HD11 ' CE2' ' A' ' 533' ' ' TRP . 16.2 mm -77.9 126.85 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 497' ' ' PHE . 20.6 t -112.93 105.59 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.374 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 494' ' ' HIS . 17.9 tttt -78.4 120.84 23.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.274 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 1.2 mt -113.25 123.18 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.771 HG22 ' HB2' ' A' ' 520' ' ' LYS . 2.7 tp -132.12 134.01 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.673 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.882 ' OG ' HD12 ' A' ' 465' ' ' LEU . 93.5 p -119.93 -166.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.227 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 52.0 p -120.78 3.02 10.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 2.4 tt0 152.95 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.333 -0.128 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.786 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 99.4 Cg_exo -44.02 -35.76 7.76 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.979 2.453 . . . . 0.0 113.089 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.882 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.07 97.7 0.14 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.815 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.58 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 55.2 Cg_endo -68.8 -37.41 11.84 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 123.18 2.587 . . . . 0.0 112.967 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 155.75 -178.66 32.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.733 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.492 ' HB3' HD22 ' A' ' 486' ' ' LEU . 5.1 ptm180 -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 473' ' ' ASP . 1.2 pttp -62.3 -45.07 94.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.764 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.58 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 2.4 mm-40 -75.82 -43.17 47.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.366 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.688 HG22 ' CZ2' ' A' ' 519' ' ' TRP . 42.3 t -64.48 -44.56 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.734 ' HA ' HG21 ' A' ' 484' ' ' VAL . 5.8 ptt85 -63.28 -42.99 99.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.681 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 4.7 t0 -67.01 -37.25 83.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.9 OUTLIER -62.9 -56.0 21.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.963 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.2 pp -61.26 -40.28 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.091 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.33 -24.92 64.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.433 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.59 62.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.983 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 474' ' ' THR . 3.3 mt -81.01 -32.31 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.632 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 2.3 p -165.25 167.83 17.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.77 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -77.11 114.67 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.099 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.963 HG21 ' CD1' ' A' ' 475' ' ' LEU . 0.9 OUTLIER -107.63 169.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 179.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.425 HD13 ' CD ' ' A' ' 498' ' ' LYS . 15.6 tp -94.08 -67.86 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.075 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 2.6 t80 -147.03 141.75 26.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.442 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.734 HG21 ' HA ' ' A' ' 472' ' ' ARG . 62.4 t -109.99 116.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 15.1 t70 -101.26 92.79 5.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.355 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 493' ' ' CYS . 0.5 OUTLIER -88.34 130.51 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -66.32 100.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 110.955 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 112.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.55 69.71 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 0.5 OUTLIER -124.95 148.36 48.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 0.0 111.168 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.575 ' O ' HD13 ' A' ' 465' ' ' LEU . 35.4 p -81.76 12.84 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.77 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.565 ' HB3' HD13 ' A' ' 460' ' ' ILE . 10.2 pt-20 -128.46 132.12 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.992 0.425 . . . . 0.0 111.513 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.859 ' HB2' HD12 ' A' ' 486' ' ' LEU . 1.4 t -129.38 145.43 51.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.233 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 458' ' ' LYS . 12.6 m80 -127.26 108.43 10.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.53 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -92.41 136.04 33.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.616 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.594 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 9.3 mtm-85 -91.97 130.45 37.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.488 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.526 ' CE2' HG12 ' A' ' 481' ' ' VAL . 2.4 m-85 -105.76 154.16 20.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.425 ' CD ' HD13 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -79.44 -19.34 50.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.648 -179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.593 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.8 OUTLIER -138.29 151.28 69.2 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.584 ' HA ' HG11 ' A' ' 455' ' ' VAL . 66.5 Cg_endo -73.1 -39.27 2.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.872 2.381 . . . . 0.0 112.196 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -36.49 84.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.33 -37.58 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.71 -42.23 86.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.759 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.52 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -62.06 -42.32 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.826 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.25 90.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.844 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 503' ' ' ALA . 6.1 p -68.67 -43.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.575 ' HA ' HD23 ' A' ' 521' ' ' LEU . 2.4 pp -63.7 -31.78 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 111.065 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.495 ' N ' HD12 ' A' ' 507' ' ' ILE . 29.0 m-80 -69.98 -40.44 75.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.88 -23.08 52.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.053 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.99 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.3 OUTLIER -60.47 -21.63 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 22.0 p -52.4 -34.5 48.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 513' ' ' ILE . 0.2 OUTLIER -59.73 -44.23 93.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.601 -179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 517' ' ' HIS . 27.0 mm -37.66 -45.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.66 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -42.58 -31.53 0.46 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.343 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -46.33 -27.7 1.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.585 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -123.23 -46.57 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.909 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.552 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 2.1 m-70 -144.01 121.45 11.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 7.2 p -59.27 110.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.688 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -115.57 148.45 39.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.475 0.655 . . . . 0.0 112.231 -179.236 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.771 ' HB2' HG22 ' A' ' 460' ' ' ILE . 13.3 mmtp -109.61 128.9 55.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.99 HD22 ' CD1' ' A' ' 510' ' ' TYR . 7.3 tp -132.93 110.44 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -128.18 138.29 52.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.487 HG12 ' HB1' ' A' ' 503' ' ' ALA . 64.8 mt -91.01 118.8 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.7 OUTLIER -63.07 141.59 58.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.706 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.4 t -147.51 162.59 38.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.087 0.47 . . . . 0.0 111.64 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 56.46 -156.68 11.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.649 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -48.71 -29.72 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.705 0.288 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.448 ' O ' HD12 ' A' ' 524' ' ' LEU . 0.2 OUTLIER -63.45 -45.51 90.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.753 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 6.4 tt0 -67.07 -45.68 76.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.204 0.526 . . . . 0.0 110.301 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 1.1 pp0? -63.33 -36.47 83.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.331 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -59.85 -51.7 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.869 ' HE1' HD11 ' A' ' 536' ' ' ILE . 26.5 t80 -55.82 -43.28 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.413 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.623 ' CE2' HD11 ' A' ' 456' ' ' ILE . 52.2 m95 -62.13 -41.89 98.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.829 ' O ' HG23 ' A' ' 538' ' ' VAL . 0.1 OUTLIER -51.54 -44.64 62.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.463 ' HE3' ' CE2' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.5 -37.84 87.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.702 178.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.869 HD11 ' HE1' ' A' ' 532' ' ' TYR . 42.3 mt -59.1 -63.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 537' ' ' LEU . 0.5 OUTLIER -47.98 -53.02 17.46 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 534' ' ' GLN . 49.0 t -51.78 -39.1 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.16 -36.39 83.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -41.96 98.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.331 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -43.59 96.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.19 69.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.188 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -14.22 10.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.373 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -33.35 8.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.9 82.33 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.126 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.404 ' HG2' ' HG3' ' A' ' 550' ' ' LYS . 1.2 tp60 74.97 71.03 0.23 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 548' ' ' ARG . 93.0 Cg_endo -80.35 100.89 1.28 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.791 2.328 . . . . 0.0 112.429 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 547' ' ' PRO . 0.0 OUTLIER 44.32 -171.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.2 28.46 4.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.639 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 550' ' ' LYS . 13.6 tttp -76.6 1.51 16.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.214 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 24.1 mmmt 67.18 127.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 553' ' ' GLY . 0.0 OUTLIER -53.87 98.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.543 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 552' ' ' ARG . . . -34.13 122.17 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.645 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 7.1 t -79.68 -34.36 40.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -56.31 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.804 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 556' ' ' LYS . 11.1 tptp 48.32 80.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.586 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 558' ' ' ILE . 0.4 OUTLIER -99.83 46.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.225 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 557' ' ' LEU . 1.9 mt -152.35 130.28 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.399 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.32 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -126.44 -70.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.04 179.799 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 2.9 ttp . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -164.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -57.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 158.65 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -39.94 52.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 163.45 24.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 8.0 t 73.2 137.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -127.16 178.32 6.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -99.9 77.89 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.08 144.33 49.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -85.09 -120.32 0.96 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.715 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.08 140.84 80.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.971 2.447 . . . . 0.0 112.539 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -146.02 66.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.719 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 3.3 p90 -51.99 134.52 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.787 HG13 HG21 ' A' ' 455' ' ' VAL . 4.3 p -66.37 110.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.163 0.506 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.97 144.03 55.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.524 ' CA ' ' OE1' ' A' ' 529' ' ' GLU . . . 65.61 30.67 77.93 Favored Glycine 0 CA--C 1.521 0.444 0 CA-C-N 115.132 -0.94 . . . . 0.0 115.19 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.787 HG21 HG13 ' A' ' 452' ' ' VAL . 5.6 m -112.71 0.1 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.456 0.628 . . . . 0.0 110.717 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.599 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 4.6 mm -89.4 91.88 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 523' ' ' ILE . 33.3 t -79.89 107.53 12.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.465 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -75.03 121.55 22.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.411 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.65 123.89 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 111.462 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.811 HG22 ' HB2' ' A' ' 520' ' ' LYS . 5.2 tp -132.74 136.81 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.126 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.591 ' HB2' ' CD1' ' A' ' 519' ' ' TRP . 45.3 t -126.42 -160.25 0.97 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.102 0.477 . . . . 0.0 111.055 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 32.2 p -140.97 10.78 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 462' ' ' THR . 3.2 tp10 158.57 -56.05 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.776 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 463' ' ' GLU . 87.3 Cg_exo -36.29 -50.28 1.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.885 2.39 . . . . 0.0 112.729 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.496 HD12 ' CB ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -31.08 92.24 0.05 OUTLIER Pre-proline 0 N--CA 1.462 0.136 0 CA-C-O 121.127 0.489 . . . . 0.0 111.045 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.564 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 55.3 Cg_endo -69.58 -38.8 7.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 123.148 2.566 . . . . 0.0 112.974 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.925 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 160.59 177.16 33.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.574 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 8.5 ptt85 -61.37 -42.71 99.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 111.171 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 7.8 pttt -63.31 -44.62 94.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.564 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 23.7 mt-30 -74.81 -43.36 55.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.261 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 467' ' ' GLY . 52.1 t -63.86 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.777 0.322 . . . . 0.0 110.642 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 15.1 ptt180 -63.2 -40.49 97.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 22.9 m-20 -64.46 -37.7 88.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.921 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.794 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -65.48 -56.03 14.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.199 0.523 . . . . 0.0 111.105 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.812 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.6 pp -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.463 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.421 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.44 -25.68 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.738 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.91 -29.91 62.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.436 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 474' ' ' THR . 1.9 mp -80.95 -32.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.772 ' HB3' HG22 ' A' ' 506' ' ' VAL . 0.2 OUTLIER -164.08 163.12 23.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.837 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 480' ' ' GLU . 8.3 pt-20 -74.55 110.55 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.174 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.812 HG21 ' CD1' ' A' ' 475' ' ' LEU . 9.1 m -103.98 159.3 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.88 -72.91 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.052 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 483' ' ' TYR . 4.7 t80 -146.55 141.96 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.742 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 495' ' ' ALA . 3.2 t -105.72 115.52 47.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -100.85 91.02 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.759 HD12 ' SG ' ' A' ' 493' ' ' CYS . 2.2 tt -92.34 128.64 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 490' ' ' ASP . 2.3 mp -61.05 95.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.727 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -39.25 117.18 0.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.7 12.63 82.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.688 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 1.2 t0 -119.63 160.14 23.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.95 12.58 23.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.452 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 487' ' ' LEU . 0.2 OUTLIER -128.24 128.17 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.428 . . . . 0.0 111.467 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.759 ' SG ' HD12 ' A' ' 486' ' ' LEU . 0.5 OUTLIER -127.75 146.64 50.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.339 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.454 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 6.3 m80 -123.23 101.36 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 111.23 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -81.34 122.97 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.566 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.512 ' HB3' ' CD1' ' A' ' 456' ' ' ILE . 0.0 OUTLIER -92.05 137.29 32.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 481' ' ' VAL . 2.0 m-85 -110.31 148.13 32.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -19.06 65.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 152.57 59.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.15 -42.65 0.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.874 2.383 . . . . 0.0 112.253 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -64.61 -37.19 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.745 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -55.72 -40.31 72.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 507' ' ' ILE . 50.4 tt0 -53.18 -41.0 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.603 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.17 92.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 479' ' ' SER . 28.2 t -68.69 -42.52 83.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.972 HD12 ' N ' ' A' ' 508' ' ' ASN . 2.8 pp -63.67 -34.1 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 111.563 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.972 ' N ' HD12 ' A' ' 507' ' ' ILE . 54.8 m-80 -69.81 -40.04 76.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.249 0.547 . . . . 0.0 110.208 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.03 -24.56 55.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.841 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 1.024 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -58.93 -14.41 9.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -178.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 508' ' ' ASN . 58.7 p -46.77 -37.68 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.403 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.76 -28.03 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.639 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.495 HG13 ' CG ' ' A' ' 510' ' ' TYR . 3.3 mm -57.16 -47.7 83.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.665 0.269 . . . . 0.0 111.216 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -54.26 -31.41 53.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 111.155 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -65.76 -28.47 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.779 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.507 ' HG3' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -97.52 -40.11 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 519' ' ' TRP . 13.3 m-70 -161.52 137.56 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.197 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 76.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.465 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.593 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.3 OUTLIER -101.01 144.7 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.209 0.528 . . . . 0.0 111.563 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.811 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.5 OUTLIER -108.77 128.74 55.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.822 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.024 HD13 ' CD1' ' A' ' 510' ' ' TYR . 0.0 OUTLIER -136.95 104.64 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.74 137.99 53.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.558 HG13 HG21 ' A' ' 507' ' ' ILE . 40.0 mt -87.38 116.45 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 1.6 mm? -60.28 135.47 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.323 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.539 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 88.3 p -144.3 161.41 39.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 111.602 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.74 -162.32 4.32 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.734 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 m-20 -38.99 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.629 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.461 ' O ' HD12 ' A' ' 524' ' ' LEU . 0.5 OUTLIER -65.0 -46.59 80.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.539 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 6.0 pt-20 -67.47 -45.96 74.4 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.819 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 534' ' ' GLN . 2.0 pp0? -64.28 -39.42 93.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.104 0.478 . . . . 0.0 110.467 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -53.32 58.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.301 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.803 ' HE1' HD11 ' A' ' 536' ' ' ILE . 21.8 t80 -60.54 -43.57 97.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 110.497 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 456' ' ' ILE . 24.9 m95 -61.03 -41.94 97.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.49 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 530' ' ' GLN . 76.4 mm-40 -58.05 -44.51 87.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.126 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -58.25 -38.69 77.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.63 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.803 HD11 ' HE1' ' A' ' 532' ' ' TYR . 54.7 mt -60.57 -44.87 97.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.394 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.97 -56.52 18.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.3 -40.06 54.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.31 -39.41 92.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.998 0.428 . . . . 0.0 110.333 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 536' ' ' ILE . 5.6 mmt180 -63.32 -40.47 97.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.309 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 544' ' ' LEU . 0.0 OUTLIER -62.21 -42.32 99.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.158 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.72 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.218 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -23.58 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 1.3 tp -53.18 -26.11 16.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.764 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 547' ' ' PRO . 20.2 m120 -91.09 -59.28 2.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.765 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.84 98.92 0.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 545' ' ' ASN . 74.2 Cg_exo -50.59 92.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.226 . . . . 0.0 112.131 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -125.23 -177.66 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -69.52 68.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.61 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.75 -5.71 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.125 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.45 80.32 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.4 65.14 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.783 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 554' ' ' THR . . . -116.86 -151.16 9.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.626 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 553' ' ' GLY . 0.4 OUTLIER 78.39 -55.13 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 556' ' ' LYS . 0.1 OUTLIER -130.36 125.79 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.828 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 555' ' ' GLU . 1.7 tttt 177.63 73.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.38 130.09 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 558' ' ' ILE . 0.9 OUTLIER -128.99 165.29 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.953 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 559' ' ' THR . 22.3 m -105.89 46.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 560' ' ' LYS . 10.3 mmmt 71.42 -159.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.998 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 438' ' ' HIS . 8.0 t-160 -161.84 33.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -48.98 142.91 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 441' ' ' HIS . 8.8 t60 -160.48 128.97 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER 164.13 -26.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' A' ' 443' ' ' HIS . 22.6 t-80 -36.5 134.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 442' ' ' HIS . 2.5 m80 174.56 158.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 445' ' ' ASN . 1.4 t -59.69 156.21 14.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 445' ' ' ASN . 0.1 OUTLIER -154.15 106.33 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -149.85 -81.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 32.7 p 53.07 -168.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 98.09 -118.17 6.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -86.54 78.97 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.917 2.412 . . . . 0.0 112.532 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 177.3 90.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.577 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 27.4 p90 -39.88 125.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.776 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.15 108.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.378 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 455' ' ' VAL . 2.2 p -72.47 16.81 0.12 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.35 31.46 0.01 OUTLIER Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.607 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.702 HG21 ' O ' ' A' ' 499' ' ' THR . 0.0 OUTLIER 40.62 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 117.073 0.436 . . . . 0.0 110.722 -179.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.556 HG12 ' NE1' ' A' ' 533' ' ' TRP . 8.2 mm -89.51 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.925 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.884 HG23 HD13 ' A' ' 523' ' ' ILE . 4.3 p -82.09 116.91 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.018 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.52 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 7.3 tttt -84.22 123.18 29.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.357 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.479 ' HB ' ' SG ' ' A' ' 493' ' ' CYS . 5.7 mt -113.23 122.18 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.889 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.04 136.55 56.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.716 178.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 465' ' ' LEU . 86.6 p -121.23 -171.22 2.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.25 0.548 . . . . 0.0 111.855 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.0 OUTLIER -115.41 -3.36 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.987 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.572 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.7 OUTLIER 154.75 -44.06 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.155 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.068 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 95.3 Cg_exo -44.81 -28.51 2.99 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.964 2.443 . . . . 0.0 113.243 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.869 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -39.13 102.98 0.27 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 110.545 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.491 ' HG2' ' HG2' ' A' ' 470' ' ' GLN . 4.4 Cg_exo -76.26 -42.55 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 123.369 2.713 . . . . 0.0 112.588 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 160.61 174.37 30.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.303 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.529 ' HB3' HD23 ' A' ' 486' ' ' LEU . 6.2 ptt180 -60.62 -39.64 88.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.748 0.309 . . . . 0.0 110.939 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -61.0 -44.72 97.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.864 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.491 ' HG2' ' HG2' ' A' ' 466' ' ' PRO . 0.1 OUTLIER -77.89 -44.48 26.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.816 HG11 ' SG ' ' A' ' 493' ' ' CYS . 69.3 t -59.36 -44.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.324 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.731 ' HB2' HG21 ' A' ' 484' ' ' VAL . 0.4 OUTLIER -63.74 -42.2 97.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.28 179.075 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.77 -37.11 86.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.533 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -66.96 -56.38 10.45 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.126 0.488 . . . . 0.0 110.909 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.643 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.0 OUTLIER -61.12 -38.9 88.0 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.36 -25.04 64.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.1 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.33 -29.74 62.88 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.29 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.719 HD13 ' HE2' ' A' ' 510' ' ' TYR . 1.5 mp -80.51 -32.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.891 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.2 OUTLIER -170.45 157.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.539 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.66 117.91 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.643 HG21 ' CD1' ' A' ' 475' ' ' LEU . 16.1 m -104.2 166.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.011 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 482' ' ' LEU . 0.0 OUTLIER -86.56 -69.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.068 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -142.49 140.97 32.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.228 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.731 HG21 ' HB2' ' A' ' 472' ' ' ARG . 10.9 t -106.19 115.78 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.913 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 485' ' ' ASP . 0.0 OUTLIER -100.17 85.73 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 1.031 HD12 ' N ' ' A' ' 487' ' ' LEU . 0.5 OUTLIER -86.53 126.69 34.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 1.031 ' N ' HD12 ' A' ' 486' ' ' LEU . 36.1 mt -60.87 86.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 487' ' ' LEU . 31.5 tt0 -37.29 116.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.008 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.42 83.29 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.695 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 487' ' ' LEU . 1.3 t0 -121.02 155.91 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.639 ' O ' HD13 ' A' ' 465' ' ' LEU . 7.8 p -87.74 12.52 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.698 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 487' ' ' LEU . 3.1 mt-10 -125.64 125.59 43.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 111.234 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.816 ' SG ' HG11 ' A' ' 471' ' ' VAL . 1.6 p -124.59 141.19 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.689 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 532' ' ' TYR . 4.7 m80 -124.0 108.23 12.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.531 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.585 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -90.8 135.77 33.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.044 0.449 . . . . 0.0 111.889 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.456 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 3.6 mtm180 -92.1 125.83 36.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 454' ' ' GLY . 2.0 m-85 -101.17 151.48 21.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 498' ' ' LYS . 5.5 tttp -80.07 -19.11 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.435 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.702 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -134.92 151.82 76.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 111.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.415 ' HA ' HG11 ' A' ' 455' ' ' VAL . 74.4 Cg_endo -74.26 -40.83 1.07 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.816 2.344 . . . . 0.0 112.248 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.45 ' OE2' ' NE2' ' A' ' 443' ' ' HIS . 0.9 OUTLIER -64.46 -35.26 80.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.541 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.67 -41.46 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.621 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -67.16 -41.89 85.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.1 OUTLIER -61.87 -42.33 98.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.19 0.519 . . . . 0.0 110.571 179.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.14 92.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.941 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.717 HG23 HG21 ' A' ' 478' ' ' ILE . 15.0 p -68.66 -42.72 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.962 ' HA ' HD23 ' A' ' 521' ' ' LEU . 1.0 OUTLIER -66.28 -35.1 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.92 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.591 ' O ' HG22 ' A' ' 511' ' ' THR . 90.4 m-20 -70.04 -40.53 75.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.218 0.533 . . . . 0.0 109.973 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.19 -22.73 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.482 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 1.015 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -59.82 -12.74 8.05 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.566 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 508' ' ' ASN . 0.0 OUTLIER -49.89 -37.29 30.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 515' ' ' LYS . 1.6 mt-10 -65.05 -28.44 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.277 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.495 HG12 ' HA ' ' A' ' 510' ' ' TYR . 50.8 mm -54.07 -46.27 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.146 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -55.24 -24.98 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 512' ' ' GLU . 2.8 mmtt -60.52 -17.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -119.6 -36.12 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.755 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 1.8 m-70 -160.79 130.59 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.681 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 57.0 m -58.37 76.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.691 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.1 OUTLIER -93.93 145.02 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 111.146 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.889 ' HB2' HG22 ' A' ' 460' ' ' ILE . 3.5 mmtt -109.13 135.35 50.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.558 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.015 HD22 ' CD1' ' A' ' 510' ' ' TYR . 8.2 tp -132.85 109.29 9.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.517 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.13 123.46 40.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.196 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.884 HD13 HG23 ' A' ' 457' ' ' VAL . 26.8 mm -79.15 114.98 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 4.6 mt -63.28 134.97 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.2 t -144.7 162.17 37.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.383 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.29 -136.18 43.38 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.115 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -30.36 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.611 0.243 . . . . 0.0 111.12 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -64.12 -46.9 82.14 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.074 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.512 ' OE1' ' CD1' ' A' ' 533' ' ' TRP . 3.0 tp10 -68.1 -45.63 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.412 . . . . 0.0 110.647 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -40.08 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -51.4 70.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.871 ' CE1' HD11 ' A' ' 536' ' ' ILE . 36.4 t80 -57.22 -43.68 83.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.598 ' CE3' HD12 ' A' ' 536' ' ' ILE . 51.3 m95 -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 538' ' ' VAL . 11.6 mm-40 -52.52 -43.13 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 536' ' ' ILE . 0.0 OUTLIER -62.67 -38.18 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.552 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.871 HD11 ' CE1' ' A' ' 532' ' ' TYR . 34.7 mt -64.57 -67.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.712 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.73 -56.58 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 534' ' ' GLN . 95.2 t -57.28 -38.97 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 543' ' ' LYS . 26.7 t0 -64.34 -37.7 88.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.59 98.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.706 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -63.22 -43.09 99.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.642 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.7 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 539' ' ' ASP . 62.6 mttt -62.76 -31.49 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.398 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 38.9 tp -44.01 -28.44 0.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.284 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -158.26 108.9 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 111.206 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.435 ' HG3' ' HD2' ' A' ' 547' ' ' PRO . 21.7 tt0 65.82 129.38 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 546' ' ' GLN . 39.0 Cg_endo -66.94 -161.88 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.602 2.202 . . . . 0.0 112.116 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.93 120.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -164.78 75.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 551' ' ' LYS . 0.0 OUTLIER -176.81 111.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER 163.05 -23.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.294 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -71.52 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 554' ' ' THR . . . 87.85 -112.12 3.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.567 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER 47.04 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.823 0.344 . . . . 0.0 111.089 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -170.29 52.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.09 136.79 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.716 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 558' ' ' ILE . 13.0 mt -86.64 -49.04 7.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 557' ' ' LEU . 0.2 OUTLIER -173.66 155.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.2 m -120.44 137.88 54.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -81.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.013 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 45.2 tpp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.869 0.366 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.18 89.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.535 ' C ' ' CG ' ' A' ' 440' ' ' HIS . 9.7 p-80 -121.17 -176.62 3.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.535 ' CG ' ' C ' ' A' ' 439' ' ' HIS . 0.8 OUTLIER -162.41 129.32 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 440' ' ' HIS . 0.2 OUTLIER 168.88 95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -52.21 162.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 444' ' ' SER . 0.4 OUTLIER -97.43 -152.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.684 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 443' ' ' HIS . 0.0 OUTLIER 54.21 109.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.99 174.03 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.425 ' O ' ' OG1' ' A' ' 447' ' ' THR . . . 67.02 8.28 6.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 446' ' ' ALA . 6.7 m -170.88 77.44 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -146.48 69.4 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.44 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.67 67.22 8.48 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.817 2.345 . . . . 0.0 112.482 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -154.86 32.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.645 ' CE2' ' CD1' ' A' ' 533' ' ' TRP . 18.5 p90 -76.88 134.14 39.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.733 ' CG2' HG11 ' A' ' 455' ' ' VAL . 7.2 p -47.21 89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.318 0.58 . . . . 0.0 110.65 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 451' ' ' PHE . 0.3 OUTLIER -70.77 144.82 50.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.133 -178.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.84 80.63 Favored Glycine 0 C--N 1.333 0.383 0 N-CA-C 115.638 1.015 . . . . 0.0 115.638 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.733 HG11 ' CG2' ' A' ' 452' ' ' VAL . 28.7 m -121.62 5.43 6.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.627 0.714 . . . . 0.0 110.953 178.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.591 HG21 ' CG ' ' A' ' 532' ' ' TYR . 4.8 mm -90.36 94.09 4.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.24 118.68 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.154 0.502 . . . . 0.0 112.16 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 494' ' ' HIS . 24.2 tttt -80.41 123.54 28.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.659 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 16.7 mt -114.02 125.37 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.323 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 1.004 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.56 138.46 52.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.678 ' HB3' HD12 ' A' ' 465' ' ' LEU . 28.8 t -125.55 -163.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.964 0.411 . . . . 0.0 111.002 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 32.9 p -133.63 3.63 3.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.403 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 1.6 tt0 158.29 -46.97 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.733 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 80.7 Cg_exo -45.31 -36.81 13.23 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.941 2.427 . . . . 0.0 112.799 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -37.45 99.71 0.19 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.114 0.483 . . . . 0.0 110.72 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.567 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 66.8 Cg_endo -73.56 -41.9 1.02 Allowed 'Trans proline' 0 CA--C 1.527 0.159 0 C-N-CA 123.025 2.484 . . . . 0.0 113.031 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 156.03 178.93 30.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.386 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 9.2 ptp180 -61.54 -40.44 94.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.714 0.293 . . . . 0.0 111.204 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.0 OUTLIER -62.37 -45.55 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.096 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.567 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 2.9 mt-30 -79.83 -43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 467' ' ' GLY . 50.7 t -61.44 -44.29 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.233 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 6.4 ptm180 -63.72 -42.22 97.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.049 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.62 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 6.6 m-20 -64.3 -35.21 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.723 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -67.68 -57.63 6.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 179.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.989 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.9 pp -64.27 -41.7 96.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.384 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.524 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.654 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.81 -29.99 62.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.334 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 474' ' ' THR . 2.6 mt -81.05 -32.69 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.653 ' HB3' HG22 ' A' ' 506' ' ' VAL . 0.3 OUTLIER -171.54 114.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.905 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 479' ' ' SER . 2.1 tt0 -36.33 123.27 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.989 HG21 ' CD1' ' A' ' 475' ' ' LEU . 12.7 m -113.5 158.5 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.366 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.02 -71.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.568 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.586 ' CD2' ' NH2' ' A' ' 496' ' ' ARG . 6.9 t80 -148.91 141.56 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.352 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 495' ' ' ALA . 2.8 t -98.51 119.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.543 ' HB2' ' NH1' ' A' ' 496' ' ' ARG . 38.3 t70 -100.83 86.97 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.442 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' A' ' 493' ' ' CYS . 0.3 OUTLIER -94.52 128.9 41.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.571 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.538 ' HB3' ' CB ' ' A' ' 490' ' ' ASP . 1.7 mp -70.23 96.14 1.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.039 0.447 . . . . 0.0 110.675 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 487' ' ' LEU . 6.2 tp10 -34.5 122.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.472 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.73 84.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.927 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 487' ' ' LEU . 5.8 t70 -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.454 ' O ' HD13 ' A' ' 465' ' ' LEU . 0.0 OUTLIER -85.71 12.83 8.1 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.022 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -123.79 120.27 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.093 0.473 . . . . 0.0 111.56 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.729 ' HB3' HD12 ' A' ' 486' ' ' LEU . 1.8 p -128.41 141.87 51.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.078 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 458' ' ' LYS . 5.0 m80 -121.3 106.34 11.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -85.1 128.81 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.427 . . . . 0.0 111.812 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.586 ' NH2' ' CD2' ' A' ' 483' ' ' TYR . 0.0 OUTLIER -93.13 134.91 34.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.429 179.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.795 ' CE2' HG12 ' A' ' 481' ' ' VAL . 1.2 m-85 -109.99 151.58 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -70.38 -17.06 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.789 0.328 . . . . 0.0 111.048 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.504 ' C ' HG12 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -142.82 152.75 59.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.22 -40.57 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.82 2.347 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.75 -30.75 69.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 506' ' ' VAL . 10.3 m-20 -63.38 -32.15 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.251 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.24 92.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.374 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.8 OUTLIER -58.39 -41.32 84.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.266 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.54 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.805 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.653 HG22 ' HB3' ' A' ' 479' ' ' SER . 59.1 t -68.49 -43.4 83.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.793 ' HA ' HD21 ' A' ' 521' ' ' LEU . 2.4 pp -65.32 -33.68 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.586 ' O ' HG22 ' A' ' 511' ' ' THR . 91.3 m-20 -69.93 -40.08 75.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.21 0.529 . . . . 0.0 110.123 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.14 -27.33 57.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.674 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.689 ' CD1' HD13 ' A' ' 521' ' ' LEU . 0.2 OUTLIER -55.23 -21.15 12.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.357 -178.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 508' ' ' ASN . 1.3 t -49.26 -37.4 23.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.343 0.592 . . . . 0.0 109.472 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.483 ' HG2' ' HG3' ' A' ' 515' ' ' LYS . 0.4 OUTLIER -64.27 -31.29 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.278 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.405 HG21 ' HE3' ' A' ' 519' ' ' TRP . 15.7 mm -49.34 -46.48 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.353 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.78 -24.78 62.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.728 0.299 . . . . 0.0 111.179 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.483 ' HG3' ' HG2' ' A' ' 512' ' ' GLU . 0.0 OUTLIER -52.87 -20.35 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.821 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.528 ' HA ' ' CE ' ' A' ' 516' ' ' LYS . 0.1 OUTLIER -124.09 -41.63 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.495 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 516' ' ' LYS . 2.3 m-70 -153.62 128.04 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 5.4 t -59.5 120.73 9.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.659 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.595 ' CD1' ' HB2' ' A' ' 461' ' ' SER . 0.5 OUTLIER -131.76 143.02 49.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.681 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 1.004 ' HB2' HG22 ' A' ' 460' ' ' ILE . 6.8 mmtt -109.64 123.98 50.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.203 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 507' ' ' ILE . 0.1 OUTLIER -137.6 106.51 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 179.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.21 135.09 52.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.679 HD11 HG12 ' A' ' 507' ' ' ILE . 35.4 mt -88.81 117.33 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 7.3 mt -63.5 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.624 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.458 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -143.63 161.1 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 111.396 -179.244 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 50.94 -146.18 10.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.944 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -31.23 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 110.883 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.418 ' ND1' HD22 ' A' ' 524' ' ' LEU . 2.1 t-160 -65.31 -46.61 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.458 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 5.0 pt-20 -67.72 -45.63 74.51 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.23 0.538 . . . . 0.0 110.355 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -64.13 -36.24 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.693 179.574 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.9 OUTLIER -62.45 -50.75 70.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.446 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.712 ' HE1' HD11 ' A' ' 536' ' ' ILE . 12.3 t80 -61.0 -43.94 98.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 111.09 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.814 ' CE3' HD12 ' A' ' 536' ' ' ILE . 26.9 m95 -62.4 -33.14 74.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.922 0.392 . . . . 0.0 110.101 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 0.0 OUTLIER -60.2 -41.33 92.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.674 178.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 532' ' ' TYR . 0.1 OUTLIER -62.48 -40.31 96.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.731 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.814 HD12 ' CE3' ' A' ' 533' ' ' TRP . 23.9 mt -61.47 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.79 -47.63 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 534' ' ' GLN . 84.4 t -61.92 -39.35 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -38.93 92.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.919 0.39 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.78 -41.67 99.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.598 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -42.29 98.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.24 78.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.781 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -48.51 -24.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.654 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 544' ' ' LEU . 1.9 tm? -39.76 -33.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.235 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.65 -62.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -172.18 151.04 2.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.33 86.4 0.81 Allowed 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.83 -171.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.73 99.76 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.85 113.21 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -48.14 141.64 6.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -172.66 129.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 107.79 131.55 6.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.614 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 554' ' ' THR . 12.9 t -127.4 55.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 68.27 81.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.747 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 74.9 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.36 84.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 27.0 mt -125.21 130.47 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -73.37 137.62 44.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 561' ' ' ALA . 0.4 OUTLIER -83.67 151.31 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.32 153.14 35.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 441' ' ' HIS . 0.1 OUTLIER -119.79 52.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 439' ' ' HIS . 82.1 m-70 65.2 -64.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 439' ' ' HIS . 1.2 m-70 -113.27 148.19 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -85.42 -21.63 28.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.63 177.45 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.666 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 2.2 p -77.03 -173.72 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.91 146.7 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -136.86 124.83 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 7.2 p -119.58 150.94 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 153.41 -93.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.559 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -48.71 142.97 17.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.828 2.352 . . . . 0.0 112.417 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.01 52.83 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.497 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 13.2 p90 -66.64 123.37 19.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 452' ' ' VAL . 5.2 p -62.74 107.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 110.485 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.592 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.7 OUTLIER -72.61 17.39 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -179.107 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.27 31.51 0.01 OUTLIER Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.863 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.868 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.1 OUTLIER 36.31 94.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.98 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.65 HD12 ' CE1' ' A' ' 532' ' ' TYR . 16.1 mm -73.31 126.82 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.752 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.803 HG21 ' CE2' ' A' ' 497' ' ' PHE . 10.6 t -112.52 112.77 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.527 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 111.213 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 45.6 mt -112.43 122.41 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.921 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.4 136.03 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.744 179.248 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.822 ' HB3' HD12 ' A' ' 465' ' ' LEU . 1.2 p -121.43 -164.96 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.738 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.536 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.4 p -132.48 9.52 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 462' ' ' THR . 1.3 mm-40 156.63 -48.46 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 84.0 Cg_exo -45.16 -37.4 13.19 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.947 2.432 . . . . 0.0 112.598 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.1 OUTLIER -40.83 98.99 0.19 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.112 0.482 . . . . 0.0 110.709 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.496 ' HB2' ' HB2' ' A' ' 470' ' ' GLN . 4.4 Cg_exo -74.62 -34.94 3.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.343 2.695 . . . . 0.0 112.597 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 154.92 -178.33 31.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.305 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 469' ' ' LYS . 4.0 ptt-85 -62.36 -41.16 98.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.014 0.435 . . . . 0.0 110.839 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 468' ' ' ARG . 29.8 pttt -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.531 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.496 ' HB2' ' HB2' ' A' ' 466' ' ' PRO . 1.4 tm0? -75.44 -44.29 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.705 HG22 ' CZ2' ' A' ' 519' ' ' TRP . 79.7 t -65.99 -44.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.586 ' HA ' HG21 ' A' ' 484' ' ' VAL . 31.4 ptt85 -62.87 -44.47 96.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.588 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.501 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 24.6 t0 -63.44 -43.16 98.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.391 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 477' ' ' ALA . 0.2 OUTLIER -57.77 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.64 179.547 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.73 ' CD1' HG21 ' A' ' 481' ' ' VAL . 3.5 pp -41.89 -40.16 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.734 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 479' ' ' SER . . . -68.14 -26.63 65.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.189 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.39 -30.44 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.575 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.794 HD13 ' HE2' ' A' ' 510' ' ' TYR . 2.1 mp -82.64 -32.39 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.742 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 3.0 p -155.65 154.99 32.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.434 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.49 113.0 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.358 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.73 HG21 ' CD1' ' A' ' 475' ' ' LEU . 3.1 m -106.67 173.16 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.47 -65.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -145.39 141.9 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.634 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.886 HG13 ' HB2' ' A' ' 495' ' ' ALA . 61.1 t -113.8 113.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -101.96 97.5 7.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.272 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 1.039 HD22 ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -101.01 130.47 47.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.727 179.591 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 1.039 ' N ' HD22 ' A' ' 486' ' ' LEU . 0.3 OUTLIER -58.66 108.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.792 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -45.96 122.5 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.35 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.03 71.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.852 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.497 ' HB2' ' HB3' ' A' ' 487' ' ' LEU . 11.9 t0 -113.71 166.09 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.637 ' O ' HD13 ' A' ' 465' ' ' LEU . 6.2 p -101.63 12.78 36.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.206 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 117.84 26.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.829 ' HB2' HD23 ' A' ' 486' ' ' LEU . 1.7 t -122.0 141.4 51.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.974 0.416 . . . . 0.0 110.948 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 17.3 m80 -128.47 109.39 11.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.177 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.886 ' HB2' HG13 ' A' ' 484' ' ' VAL . . . -102.33 134.48 45.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.143 0.497 . . . . 0.0 112.023 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.54 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 12.3 mtp180 -86.74 130.25 34.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.083 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.803 ' CE2' HG21 ' A' ' 457' ' ' VAL . 2.3 m-85 -100.99 146.54 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.624 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -19.58 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.014 0.435 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.55 ' C ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -141.91 150.12 55.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.802 179.563 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.868 ' HA ' HG11 ' A' ' 455' ' ' VAL . 72.2 Cg_endo -75.36 -38.36 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.732 2.288 . . . . 0.0 112.305 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -39.57 91.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -35.7 81.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.087 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.571 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 507' ' ' ILE . 2.9 tt0 -62.71 -41.13 98.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.82 90.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.178 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 503' ' ' ALA . 10.7 p -68.52 -43.43 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.965 HG22 ' CB ' ' A' ' 521' ' ' LEU . 0.9 OUTLIER -66.48 -35.84 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.478 ' O ' HG23 ' A' ' 511' ' ' THR . 94.5 m-20 -70.41 -40.7 73.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.132 0.492 . . . . 0.0 110.291 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.03 -23.34 55.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.794 ' HE2' HD13 ' A' ' 478' ' ' ILE . 0.2 OUTLIER -60.89 -8.63 3.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.361 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 508' ' ' ASN . 82.1 p -53.16 -36.16 60.57 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 515' ' ' LYS . 10.8 pt-20 -54.1 -40.63 67.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.356 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.843 HG22 ' O ' ' A' ' 517' ' ' HIS . 33.4 mm -45.43 -46.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -48.4 -32.68 7.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 512' ' ' GLU . 12.3 mmtt -54.55 -26.3 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.47 ' HE2' ' HA ' ' A' ' 516' ' ' LYS . 0.0 OUTLIER -120.32 -39.84 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.554 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.843 ' O ' HG22 ' A' ' 513' ' ' ILE . 34.4 m-70 -154.12 128.68 9.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.58 120.92 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.729 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.705 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -126.41 147.26 49.81 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.464 0.65 . . . . 0.0 111.913 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 1.054 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.7 OUTLIER -110.01 135.21 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.539 -179.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.054 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -136.78 127.85 27.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.354 179.006 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.62 131.91 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.372 . . . . 0.0 111.47 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.55 114.9 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.534 HD13 ' ND1' ' A' ' 528' ' ' HIS . 2.8 mm? -62.58 144.7 55.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 111.214 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 51.1 p -147.92 162.14 39.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.402 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 53.48 -143.67 26.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.108 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 3.6 m-20 -56.69 -30.03 63.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.709 0.29 . . . . 0.0 111.205 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.534 ' ND1' HD13 ' A' ' 524' ' ' LEU . 6.3 t-160 -64.06 -46.79 82.8 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 11.7 tt0 -68.11 -45.12 74.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.148 0.499 . . . . 0.0 110.492 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.2 pp0? -62.96 -38.18 90.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.692 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -60.88 -54.44 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.813 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.82 ' HE1' HD11 ' A' ' 536' ' ' ILE . 25.7 t80 -52.24 -43.86 64.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.069 0.461 . . . . 0.0 110.371 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.626 ' CE3' HD12 ' A' ' 536' ' ' ILE . 49.4 m95 -62.35 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.473 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 3.2 mm-40 -50.53 -44.41 56.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.456 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.54 -39.68 94.37 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.432 178.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.82 HD11 ' HE1' ' A' ' 532' ' ' TYR . 40.2 mt -61.13 -55.45 24.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.4 mm? -60.38 -59.54 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.922 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 42.7 t -54.04 -38.29 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 535' ' ' LYS . 6.2 t0 -62.29 -39.21 92.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.624 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 536' ' ' ILE . 22.4 mmt85 -63.28 -40.78 98.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.402 ' OE1' ' N ' ' A' ' 541' ' ' GLN . 0.9 OUTLIER -61.8 -42.4 98.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.806 179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.81 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.437 ' HE2' ' HD3' ' A' ' 540' ' ' ARG . 0.3 OUTLIER -56.3 -35.97 68.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.792 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 544' ' ' LEU . 0.0 OUTLIER -58.94 -16.71 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.463 ' C ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -118.2 -47.53 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.49 64.17 0.56 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' A' ' 545' ' ' ASN . 57.6 Cg_endo -71.43 -163.95 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.71 175.46 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.719 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 550' ' ' LYS . 0.3 OUTLIER 68.52 170.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 551' ' ' LYS . 7.6 mttp 64.12 133.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 550' ' ' LYS . 8.6 ttmt 66.53 64.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -76.8 -22.3 53.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 130.23 176.14 14.3 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.544 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.91 8.27 6.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.771 0.32 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.25 49.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 166.89 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.971 0.415 . . . . 0.0 111.111 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.09 21.56 12.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 9.9 mt 66.09 145.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.349 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.5 m -113.12 62.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -127.53 -52.51 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.974 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -173.12 170.21 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -68.51 169.65 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.029 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 441' ' ' HIS . 0.0 OUTLIER 68.46 156.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 440' ' ' HIS . 1.5 p-80 165.79 58.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.617 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.4 35.52 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.199 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -152.49 -59.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.41 90.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.66 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -145.75 110.78 5.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.61 146.02 40.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -80.21 113.17 3.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.438 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . 0.426 ' O ' ' CD ' ' A' ' 450' ' ' GLN . 90.9 Cg_endo -83.21 68.84 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.833 2.355 . . . . 0.0 112.453 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 449' ' ' PRO . 2.5 mp0 -145.98 27.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 451' ' ' PHE . 34.4 p90 -81.97 109.27 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 452' ' ' VAL . 14.4 p -44.83 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.412 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.576 ' O ' ' N ' ' A' ' 455' ' ' VAL . 3.2 p -72.55 17.17 0.12 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 29.89 31.89 0.01 OUTLIER Glycine 0 C--N 1.334 0.468 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.798 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.576 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.0 OUTLIER 37.26 94.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 117.112 0.456 . . . . 0.0 110.833 -179.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.536 HG12 ' NE1' ' A' ' 533' ' ' TRP . 4.2 mm -79.35 89.93 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.963 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 497' ' ' PHE . 71.4 t -74.11 124.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.039 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -97.2 121.13 38.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.278 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.466 HG12 ' CD1' ' A' ' 521' ' ' LEU . 0.9 OUTLIER -112.99 120.45 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 178.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.804 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.23 133.56 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 178.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 465' ' ' LEU . 59.4 p -112.33 -168.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 2.9 p -88.81 -21.39 23.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.064 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 462' ' ' THR . 0.1 OUTLIER 158.67 -50.7 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.964 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 87.5 Cg_exo -45.79 -62.41 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.748 2.299 . . . . 0.0 112.448 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.859 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER 36.58 94.56 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 110.571 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.542 ' HB2' ' CB ' ' A' ' 470' ' ' GLN . 79.1 Cg_exo -31.39 -56.25 0.24 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.371 2.714 . . . . 0.0 112.819 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.796 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 151.8 -178.81 28.87 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.901 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.564 ' HB3' HD12 ' A' ' 486' ' ' LEU . 12.1 ptm180 -62.86 -43.45 98.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.037 0.446 . . . . 0.0 110.493 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.1 OUTLIER -64.1 -45.38 88.92 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.397 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.542 ' CB ' ' HB2' ' A' ' 466' ' ' PRO . 8.3 mm100 -75.15 -43.83 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 467' ' ' GLY . 96.3 t -61.72 -43.48 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.719 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 0.7 OUTLIER -63.06 -44.49 95.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.545 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 0.6 OUTLIER -67.84 -32.57 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.84 ' O ' HD12 ' A' ' 478' ' ' ILE . 0.8 OUTLIER -65.61 -56.43 12.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.126 0.489 . . . . 0.0 111.449 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.932 ' CD1' HG21 ' A' ' 481' ' ' VAL . 1.7 pp -62.01 -40.88 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.147 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.493 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.16 -24.82 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.558 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.37 63.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 474' ' ' THR . 2.9 mp -81.16 -32.8 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.386 . . . . 0.0 110.584 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.485 ' HB3' ' OD2' ' A' ' 502' ' ' ASP . 17.1 m -164.5 165.9 20.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.7 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.25 114.86 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.932 HG21 ' CD1' ' A' ' 475' ' ' LEU . 5.0 m -106.42 159.75 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 482' ' ' LEU . 0.2 OUTLIER -83.94 -71.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.548 ' CE1' ' OD2' ' A' ' 485' ' ' ASP . 7.5 t80 -141.11 139.14 33.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 495' ' ' ALA . 13.4 p -108.43 115.05 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.363 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.548 ' OD2' ' CE1' ' A' ' 483' ' ' TYR . 0.1 OUTLIER -101.23 91.27 4.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.993 HD22 ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -96.91 129.74 44.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.756 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.993 ' N ' HD22 ' A' ' 486' ' ' LEU . 4.9 mt -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.39 126.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.425 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 73.47 7.53 73.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.63 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 487' ' ' LEU . 0.4 OUTLIER -112.88 166.53 11.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.89 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.505 ' O ' HD13 ' A' ' 465' ' ' LEU . 62.7 p -102.3 12.77 36.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -127.2 123.9 37.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.09 0.471 . . . . 0.0 111.661 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.795 ' HB2' HD23 ' A' ' 486' ' ' LEU . 2.2 t -125.98 145.1 50.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.48 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 9.6 m80 -126.45 102.22 7.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.715 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -90.9 129.43 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.182 0.515 . . . . 0.0 111.944 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 123.96 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.425 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.802 ' HE1' HG21 ' A' ' 506' ' ' VAL . 2.9 m-85 -102.29 147.82 26.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.584 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -17.53 59.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.614 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.518 ' C ' HG21 ' A' ' 455' ' ' VAL . 2.7 p -144.8 149.57 43.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.087 0.47 . . . . 0.0 111.772 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.523 ' HA ' HG11 ' A' ' 455' ' ' VAL . 58.7 Cg_endo -72.06 -39.44 3.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.86 2.374 . . . . 0.0 111.923 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -60.34 -38.34 83.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.456 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.84 ' O ' HG23 ' A' ' 506' ' ' VAL . 0.2 OUTLIER -62.86 -42.49 99.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.545 179.667 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.73 84.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 507' ' ' ILE . 34.7 tt0 -54.88 -43.49 73.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.191 0.519 . . . . 0.0 110.173 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.49 90.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.968 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 502' ' ' ASP . 18.4 t -68.14 -43.93 84.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.629 ' HA ' HD23 ' A' ' 521' ' ' LEU . 1.3 pt -67.23 -35.41 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 111.415 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.538 ' O ' HG22 ' A' ' 511' ' ' THR . 89.4 m-20 -70.8 -40.06 72.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.363 0.601 . . . . 0.0 109.877 178.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.13 -25.79 55.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.445 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.986 ' CD1' HD22 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -59.41 -17.16 28.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.202 -178.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 508' ' ' ASN . 3.3 t -55.21 -35.96 65.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.01 -40.48 76.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 519' ' ' TRP . 42.6 mm -41.01 -45.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -45.18 -28.77 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -26.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.736 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.562 ' CG ' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -124.73 -37.73 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.592 179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.562 ' NE2' ' CG ' ' A' ' 516' ' ' LYS . 1.8 m-70 -154.26 129.9 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.635 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.08 97.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.748 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.707 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -103.06 147.59 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.162 0.506 . . . . 0.0 111.599 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.804 ' HB2' HG22 ' A' ' 460' ' ' ILE . 0.5 OUTLIER -109.39 136.01 49.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.727 -179.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.986 HD22 ' CD1' ' A' ' 510' ' ' TYR . 6.5 tp -136.92 113.09 9.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.855 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.6 136.23 51.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 70.5 mt -90.1 118.96 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 3.7 mm? -62.12 137.19 58.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.679 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.469 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 4.5 p -148.52 162.42 39.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.396 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 54.04 -160.86 4.19 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.781 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 1.5 m-20 -39.76 -30.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.498 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -45.94 85.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.469 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 2.0 pt-20 -66.71 -45.58 78.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.028 0.442 . . . . 0.0 110.239 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -63.53 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.828 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.503 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -58.35 -54.77 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.002 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.898 ' HE1' HD11 ' A' ' 536' ' ' ILE . 24.1 t80 -59.55 -44.49 93.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.96 0.41 . . . . 0.0 110.752 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 536' ' ' ILE . 42.5 m95 -62.23 -42.02 98.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.479 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.478 ' HG2' ' OE1' ' A' ' 530' ' ' GLN . 43.0 mm-40 -51.87 -41.81 62.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.722 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.602 ' HE2' ' CE2' ' A' ' 532' ' ' TYR . 1.7 pttp -63.08 -40.66 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.044 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.898 HD11 ' HE1' ' A' ' 532' ' ' TYR . 67.1 mt -64.41 -55.03 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.81 -55.96 28.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.297 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.68 -39.57 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.369 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 43.1 t0 -64.58 -37.84 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.371 . . . . 0.0 110.534 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -62.18 -41.04 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.1 -40.64 98.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.387 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.17 81.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -42.43 -32.73 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.788 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -29.16 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.61 149.14 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.29 63.81 1.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.19 111.08 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.982 2.454 . . . . 0.0 112.322 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.65 101.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 550' ' ' LYS . 4.6 mm-40 -124.9 115.55 20.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 549' ' ' GLU . 1.0 OUTLIER 36.65 75.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.66 93.04 8.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.037 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 129.78 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.783 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -137.18 177.41 19.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.729 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.91 58.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.98 93.7 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.72 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.444 ' O ' HG12 ' A' ' 558' ' ' ILE . 3.2 mtmt -104.05 100.04 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.04 133.65 27.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 556' ' ' LYS . 5.5 mm -123.56 92.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 30.2 p -106.37 -29.7 9.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 58.58 68.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.037 -179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 22.5 mtm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.816 0.341 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . 0.507 ' O ' ' CB ' ' A' ' 439' ' ' HIS . 2.4 m80 -63.91 169.95 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . 0.507 ' CB ' ' O ' ' A' ' 438' ' ' HIS . 3.3 t-80 83.28 72.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 441' ' ' HIS . 7.0 t-80 -101.1 148.3 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.707 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER 78.07 161.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 -179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.96 140.79 50.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.985 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.96 59.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.89 112.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.814 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 7.3 m-20 -63.03 -86.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 445' ' ' ASN . . . 174.06 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 5.3 p -51.42 169.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -149.83 -73.54 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -58.23 87.16 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.793 2.328 . . . . 0.0 112.202 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.44 112.39 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 38.6 p90 -87.34 109.87 19.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.116 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 452' ' ' VAL . 5.4 m -43.87 99.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.432 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.582 ' HA ' ' CE2' ' A' ' 533' ' ' TRP . 0.8 OUTLIER -72.24 17.42 0.1 Allowed 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.239 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 30.15 31.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.16 -0.543 . . . . 0.0 113.889 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.718 HG11 ' HA ' ' A' ' 500' ' ' PRO . 0.2 OUTLIER 34.95 96.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.071 0.436 . . . . 0.0 111.201 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.792 HD11 ' CE2' ' A' ' 533' ' ' TRP . 26.4 mm -72.61 126.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.416 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.707 HG21 ' CE2' ' A' ' 497' ' ' PHE . 83.2 t -113.13 97.0 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.739 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.444 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 1.2 tttt -74.59 117.09 16.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.382 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.623 HD13 HD21 ' A' ' 521' ' ' LEU . 4.3 mt -112.62 124.53 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.686 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.97 134.71 59.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.943 ' OG ' HD12 ' A' ' 465' ' ' LEU . 85.0 p -121.11 -164.78 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 3.3 p -120.72 -8.54 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.531 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.563 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 0.3 OUTLIER 156.26 -45.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-O 120.968 0.413 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 94.7 Cg_exo -44.5 -26.33 1.71 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.855 2.37 . . . . 0.0 112.673 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.943 HD12 ' OG ' ' A' ' 461' ' ' SER . 0.1 OUTLIER -38.76 103.13 0.27 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.373 . . . . 0.0 110.646 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.507 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 32.4 Cg_endo -64.56 -44.81 10.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.782 2.321 . . . . 0.0 112.703 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 156.58 -178.65 32.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 486' ' ' LEU . 19.0 ptt180 -61.72 -41.8 98.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.3 OUTLIER -62.53 -43.3 99.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.372 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.507 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 4.2 mm-40 -76.63 -43.05 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.661 HG22 ' CZ2' ' A' ' 519' ' ' TRP . 34.8 t -63.05 -44.71 99.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.122 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 469' ' ' LYS . 23.6 ptt85 -63.58 -39.52 94.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.663 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -45.67 88.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 477' ' ' ALA . 1.5 p -61.03 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.376 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.758 ' CD1' HG21 ' A' ' 481' ' ' VAL . 4.0 pp -42.19 -41.51 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.225 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.604 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -69.58 -26.45 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.788 0.328 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -72.11 -29.08 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.714 HG21 ' HA ' ' A' ' 506' ' ' VAL . 2.0 mp -81.53 -30.95 10.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 75.6 m -167.31 161.97 14.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.789 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.71 117.78 17.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.758 HG21 ' CD1' ' A' ' 475' ' ' LEU . 2.2 m -105.16 161.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.56 -70.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.4 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -143.06 136.46 28.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 472' ' ' ARG . 2.0 p -111.55 116.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.009 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 493' ' ' CYS . 7.0 t70 -95.29 130.55 42.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 493' ' ' CYS . 0.0 OUTLIER -130.84 120.35 23.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.179 179.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 490' ' ' ASP . 2.6 mt -61.09 93.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.696 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.9 tm-20 -33.75 125.79 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.573 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 70.77 7.35 61.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.829 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 487' ' ' LEU . 3.4 t0 -108.3 170.06 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.1 p -105.9 12.27 30.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.97 131.49 47.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 0.0 111.348 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.467 ' SG ' ' HB ' ' A' ' 459' ' ' ILE . 3.1 p -136.88 145.46 44.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.476 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 16.5 m80 -125.81 110.63 13.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.325 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -92.82 135.04 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.104 0.478 . . . . 0.0 111.745 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 -95.18 130.78 41.77 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.541 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.757 ' CE1' HG12 ' A' ' 481' ' ' VAL . 3.1 m-85 -112.45 152.34 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.19 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -18.99 50.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.657 0.265 . . . . 0.0 111.383 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.606 ' C ' HG21 ' A' ' 455' ' ' VAL . 2.9 p -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.472 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.718 ' HA ' HG11 ' A' ' 455' ' ' VAL . 66.3 Cg_endo -73.82 -37.09 3.11 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.917 2.411 . . . . 0.0 112.341 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -39.94 94.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.5 -42.04 98.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.49 -41.72 88.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.538 ' O ' HG13 ' A' ' 507' ' ' ILE . 1.8 tt0 -62.17 -37.65 86.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.007 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.714 ' HA ' HG21 ' A' ' 478' ' ' ILE . 2.9 p -68.23 -42.1 84.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 521' ' ' LEU . 1.3 pt -64.68 -33.49 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 111.439 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 507' ' ' ILE . 79.3 m-20 -69.82 -40.31 75.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.276 0.56 . . . . 0.0 110.065 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.34 53.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.65 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.532 ' CD1' ' HG ' ' A' ' 521' ' ' LEU . 0.2 OUTLIER -62.54 -10.84 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 514' ' ' ASN . 44.7 p -52.46 -37.48 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.49 ' HA ' ' HD2' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -53.32 -45.82 69.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.167 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.607 HG21 ' HE3' ' A' ' 519' ' ' TRP . 50.9 mt -53.55 -47.39 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.889 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 511' ' ' THR . 3.3 t-20 -40.35 -32.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 512' ' ' GLU . 1.7 mttp -67.74 -50.35 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.415 ' HG3' ' NE2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -74.81 -42.78 57.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.774 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 516' ' ' LYS . 23.1 m-70 -153.01 123.49 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.601 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.4 m -54.15 92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.661 ' CZ2' HG22 ' A' ' 471' ' ' VAL . 0.3 OUTLIER -110.23 144.49 38.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.46 0.647 . . . . 0.0 111.829 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.78 ' HB2' HG22 ' A' ' 460' ' ' ILE . 3.0 mmtp -109.55 130.39 55.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.167 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 507' ' ' ILE . 0.4 OUTLIER -132.91 115.14 14.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.588 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.03 142.65 38.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.11 119.88 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 6.2 mt -58.44 146.79 33.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.7 t -145.06 161.92 38.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.614 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 51.66 -133.99 34.98 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 113.018 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.32 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.615 0.245 . . . . 0.0 111.413 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -46.73 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.655 0.264 . . . . 0.0 111.061 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 18.6 tt0 -68.14 -45.26 74.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -40.61 97.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.726 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 11.8 ttt180 -57.68 -55.75 30.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.62 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.881 ' HE1' HD11 ' A' ' 536' ' ' ILE . 25.7 t80 -51.1 -42.66 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.256 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.792 ' CE2' HD11 ' A' ' 456' ' ' ILE . 38.0 m95 -61.57 -41.82 97.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -49.07 -44.6 42.07 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.543 ' HE3' ' CZ ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.39 -39.25 92.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.481 178.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.881 HD11 ' HE1' ' A' ' 532' ' ' TYR . 36.4 mt -62.48 -62.32 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.796 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.5 mm? -47.33 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.456 ' HA ' ' HG2' ' A' ' 541' ' ' GLN . 97.7 t -51.76 -38.67 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.334 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 46.5 t0 -63.75 -38.96 93.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -63.25 -40.88 98.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 538' ' ' VAL . 0.7 OUTLIER -63.23 -42.43 99.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.52 80.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -61.54 -33.11 73.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.294 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 545' ' ' ASN . 0.3 OUTLIER -57.28 -30.24 64.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 544' ' ' LEU . 15.6 m120 72.43 137.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 42.49 67.99 3.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.37 113.61 2.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 549' ' ' GLU . 0.0 OUTLIER -110.82 85.26 2.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.46 ' O ' ' NH2' ' A' ' 548' ' ' ARG . 0.0 OUTLIER -131.42 177.7 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 549' ' ' GLU . 0.0 OUTLIER 167.17 -43.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 151.16 23.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.977 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 63.26 89.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 554' ' ' THR . . . 176.98 -176.04 47.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.473 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 553' ' ' GLY . 8.8 t 177.45 -164.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.402 ' N ' ' OG1' ' A' ' 554' ' ' THR . 18.0 mm-40 54.89 88.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 557' ' ' LEU . 0.9 OUTLIER -113.29 -164.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 556' ' ' LYS . 1.1 mt 36.53 92.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 3.4 pt -130.82 167.92 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 12.0 t -64.6 141.14 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 561' ' ' ALA . 0.0 OUTLIER 61.15 103.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.847 0.356 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -127.88 117.81 22.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.21 -83.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -123.61 -75.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -76.99 -177.07 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -79.71 -80.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.746 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 444' ' ' SER . 4.8 t-160 170.5 127.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 443' ' ' HIS . 24.7 p -72.1 152.6 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.782 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.03 173.1 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -123.86 -78.37 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 54.34 67.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.001 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -169.45 93.02 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.32 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.98 164.6 35.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.775 2.317 . . . . 0.0 112.573 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 179.34 128.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 533' ' ' TRP . 7.1 t80 -83.97 109.12 17.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.378 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.81 HG22 HG11 ' A' ' 455' ' ' VAL . 11.3 p -97.29 48.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.482 0.658 . . . . 0.0 110.475 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.4 ' CB ' ' OE2' ' A' ' 529' ' ' GLU . 1.0 OUTLIER -37.71 144.88 0.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.946 . . . . 0.0 113.134 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 66.79 31.53 78.57 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.81 HG11 HG22 ' A' ' 452' ' ' VAL . 30.6 m -121.47 2.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.965 0.882 . . . . 0.0 110.986 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.642 HD11 ' CZ2' ' A' ' 533' ' ' TRP . 3.0 mm -81.76 92.49 2.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.555 ' CG2' ' CE2' ' A' ' 497' ' ' PHE . 48.0 t -80.24 109.07 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.404 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.498 ' HG3' ' NE2' ' A' ' 494' ' ' HIS . 27.8 tttm -76.45 122.48 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.536 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . 0.465 ' HB ' ' SG ' ' A' ' 493' ' ' CYS . 2.7 mt -113.19 123.05 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 111.522 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.917 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.74 134.11 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.051 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.872 ' HB3' HD12 ' A' ' 465' ' ' LEU . 1.4 p -123.32 -161.1 0.94 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.964 0.411 . . . . 0.0 111.171 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 25.7 p -117.0 -16.62 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.94 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.537 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 3.1 mt-10 160.43 -48.67 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 82.3 Cg_exo -40.2 -26.0 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.872 HD12 ' HB3' ' A' ' 461' ' ' SER . 0.2 OUTLIER -39.73 100.07 0.21 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.402 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.57 ' CG ' ' CB ' ' A' ' 470' ' ' GLN . 18.3 Cg_endo -58.54 -45.47 29.9 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.917 2.411 . . . . 0.0 112.711 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 153.41 -175.07 31.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.384 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.783 ' HB3' HD23 ' A' ' 486' ' ' LEU . 2.3 ptp180 -61.92 -39.07 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.899 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 10.4 mttt -62.42 -43.86 97.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.336 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.57 ' CB ' ' CG ' ' A' ' 466' ' ' PRO . 7.3 mm-40 -77.69 -44.24 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.716 HG11 ' SG ' ' A' ' 493' ' ' CYS . 72.2 t -62.62 -44.36 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.262 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 476' ' ' ALA . 3.7 ptm180 -63.28 -44.85 93.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.062 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 469' ' ' LYS . 5.6 t70 -63.25 -40.94 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 477' ' ' ALA . 5.9 p -61.47 -82.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 1.005 ' CD1' HG21 ' A' ' 481' ' ' VAL . 3.4 pp -42.33 -40.97 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.8 -25.87 64.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 474' ' ' THR . . . -73.04 -29.53 63.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.957 0.408 . . . . 0.0 110.606 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.77 -31.99 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.598 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.2 OUTLIER -162.56 163.92 27.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.737 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.22 112.55 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.205 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 1.005 HG21 ' CD1' ' A' ' 475' ' ' LEU . 1.4 m -105.08 146.1 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.724 HD13 ' HG3' ' A' ' 498' ' ' LYS . 24.2 tp -62.15 -76.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.001 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 483' ' ' TYR . 6.7 t80 -147.52 141.72 26.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 495' ' ' ALA . 5.9 p -100.45 114.09 38.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.389 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -100.83 87.85 3.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.959 HD12 ' N ' ' A' ' 487' ' ' LEU . 0.3 OUTLIER -84.55 130.99 34.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.673 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.959 ' N ' HD12 ' A' ' 486' ' ' LEU . 0.2 OUTLIER -64.67 86.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.943 0.401 . . . . 0.0 110.752 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 487' ' ' LEU . 0.7 OUTLIER -35.62 121.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.341 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.99 77.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.703 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.473 ' OD1' ' HG3' ' A' ' 492' ' ' GLU . 0.5 OUTLIER -130.12 150.29 51.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 111.17 -179.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 1.1 p -81.99 13.56 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.552 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.473 ' HG3' ' OD1' ' A' ' 490' ' ' ASP . 0.5 OUTLIER -126.01 129.47 49.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.442 . . . . 0.0 111.219 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.716 ' SG ' HG11 ' A' ' 471' ' ' VAL . 3.8 p -125.94 141.98 51.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.569 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.498 ' NE2' ' HG3' ' A' ' 458' ' ' LYS . 2.3 m80 -122.45 106.68 11.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.455 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 484' ' ' VAL . . . -92.12 134.58 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.046 0.45 . . . . 0.0 111.769 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.557 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 1.4 mtm180 -92.95 132.0 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.239 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.643 ' CD1' HG12 ' A' ' 481' ' ' VAL . 1.8 m-85 -107.73 140.7 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.724 ' HG3' HD13 ' A' ' 482' ' ' LEU . 2.2 tttm -58.18 -17.25 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.746 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.439 ' C ' HG12 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -149.32 150.77 32.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.013 179.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.402 ' N ' HG12 ' A' ' 455' ' ' VAL . 60.3 Cg_endo -73.08 -36.27 4.46 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.801 2.334 . . . . 0.0 112.574 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.59 -36.01 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.258 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.5 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.09 90.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.564 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.488 ' O ' HG13 ' A' ' 507' ' ' ILE . 42.6 tt0 -55.66 -40.22 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.555 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.64 93.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.89 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.95 -42.99 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 523' ' ' ILE . 2.6 pp -64.4 -31.96 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.317 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 507' ' ' ILE . 69.8 m-20 -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.93 -25.86 53.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.746 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.471 ' CE1' ' CE3' ' A' ' 519' ' ' TRP . 0.3 OUTLIER -62.39 -12.59 22.33 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.468 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 60.1 p -54.64 -34.69 62.54 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' LYS . 0.6 OUTLIER -58.8 -44.43 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 512' ' ' GLU . 3.8 mm -38.29 -44.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.738 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -50.32 -32.29 16.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.586 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 512' ' ' GLU . 11.9 mmtm -48.53 -24.07 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.12 0.486 . . . . 0.0 110.561 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -119.5 -44.23 2.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.973 179.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 516' ' ' LYS . 6.1 m-70 -150.12 127.76 11.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.636 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.8 p -63.55 116.54 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.644 ' CH2' HG22 ' A' ' 471' ' ' VAL . 0.2 OUTLIER -118.85 144.71 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.265 0.555 . . . . 0.0 111.363 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.929 ' O ' HD13 ' A' ' 521' ' ' LEU . 0.4 OUTLIER -108.67 135.68 49.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.125 -179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.929 HD13 ' O ' ' A' ' 520' ' ' LYS . 0.3 OUTLIER -136.94 113.58 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.841 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -126.34 124.12 39.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 507' ' ' ILE . 4.9 mp -88.8 117.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 2.9 mt -62.7 139.83 58.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.496 ' CA ' ' HB3' ' A' ' 529' ' ' GLU . 0.1 OUTLIER -143.4 161.31 38.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 -179.281 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' ' 529' ' ' GLU . . . 53.17 -157.61 4.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.25 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.478 ' HA ' ' HG2' ' A' ' 530' ' ' GLN . 6.2 m-20 -40.65 -30.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.667 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -46.27 82.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.496 ' HB3' ' CA ' ' A' ' 525' ' ' SER . 13.4 pt-20 -66.73 -45.94 77.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.999 0.428 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.519 ' HG3' ' N ' ' A' ' 531' ' ' ARG . 0.1 OUTLIER -64.7 -31.58 72.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.505 179.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.519 ' N ' ' HG3' ' A' ' 530' ' ' GLN . 0.0 OUTLIER -62.69 -53.46 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.235 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.799 ' HE1' HD11 ' A' ' 536' ' ' ILE . 7.5 t80 -61.18 -43.77 98.36 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 110.76 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.642 ' CZ2' HD11 ' A' ' 456' ' ' ILE . 45.6 m95 -61.85 -39.9 93.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.572 ' O ' HG23 ' A' ' 538' ' ' VAL . 3.8 mm-40 -57.12 -42.4 80.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.325 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.608 ' HE2' ' CD2' ' A' ' 532' ' ' TYR . 2.0 pttp -63.0 -38.27 90.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.963 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.799 HD11 ' HE1' ' A' ' 532' ' ' TYR . 59.5 mt -57.49 -68.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.108 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 537' ' ' LEU . 0.5 OUTLIER -46.58 -46.0 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 534' ' ' GLN . 79.0 t -57.82 -38.88 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -64.1 -38.45 91.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.703 ' NH1' HG23 ' A' ' 536' ' ' ILE . 4.3 mpt_? -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.689 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -63.07 -42.51 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.947 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.92 84.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.477 ' CE ' ' HG3' ' A' ' 540' ' ' ARG . 0.0 OUTLIER -62.28 -33.77 75.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.033 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 543' ' ' LYS . 0.2 OUTLIER -53.5 -35.88 61.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.71 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 547' ' ' PRO . 0.2 OUTLIER 178.53 85.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.051 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 546' ' ' GLN . 0.9 OUTLIER -74.02 111.95 14.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 545' ' ' ASN . 89.2 Cg_exo -46.34 121.68 4.84 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.727 2.285 . . . . 0.0 112.394 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 549' ' ' GLU . 0.1 OUTLIER -93.53 143.73 26.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 548' ' ' ARG . 0.0 OUTLIER 161.68 158.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.686 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.7 122.65 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.51 -169.18 1.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.442 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.88 85.84 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . -71.98 -94.56 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.136 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 38.9 p -80.71 -27.69 36.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 557' ' ' LEU . 0.5 OUTLIER 76.61 132.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.023 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.28 64.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.702 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 555' ' ' GLU . 0.7 OUTLIER -79.94 64.44 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 557' ' ' LEU . 0.3 OUTLIER 38.62 52.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.04 114.83 22.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 561' ' ' ALA . 1.3 ttmm -129.83 95.64 4.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 560' ' ' LYS . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.019 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.843 0.354 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 2.1 m80 63.98 44.85 4.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -70.74 -58.02 4.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 67.84 90.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.782 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -74.49 75.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.04 75.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 444' ' ' SER . 1.8 t-80 -79.66 55.52 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.761 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 443' ' ' HIS . 0.4 OUTLIER -35.25 154.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.04 176.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -58.61 -163.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.038 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 13.4 t -179.83 135.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . -164.14 -129.35 1.03 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.678 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.73 87.64 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.455 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 51.06 0.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.604 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 45.2 p90 -45.3 105.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.084 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 452' ' ' VAL . 4.0 m -40.24 96.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.607 ' O ' ' N ' ' A' ' 455' ' ' VAL . 1.7 p -72.88 16.54 0.15 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 27.7 31.57 0.01 OUTLIER Glycine 0 C--N 1.336 0.566 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.607 ' N ' ' O ' ' A' ' 453' ' ' SER . 0.2 OUTLIER 40.01 101.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.354 0.577 . . . . 0.0 111.509 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.544 HD11 ' CE2' ' A' ' 533' ' ' TRP . 48.4 mm -81.03 126.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.978 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.723 HG21 ' CE2' ' A' ' 497' ' ' PHE . 77.2 t -113.67 106.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.815 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.69 119.25 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 111.792 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 4.6 mt -113.01 125.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.677 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.792 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -132.11 135.14 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.83 ' OG ' HD12 ' A' ' 465' ' ' LEU . 28.4 p -124.59 -166.19 1.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.107 0.48 . . . . 0.0 111.036 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.41 ' O ' ' CB ' ' A' ' 463' ' ' GLU . 1.3 p -123.02 -14.05 7.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.61 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 464' ' ' PRO . 0.0 OUTLIER 167.44 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 111.11 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 463' ' ' GLU . 70.7 Cg_exo -38.18 -27.12 0.1 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.677 2.251 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.853 HD13 ' HA ' ' A' ' 491' ' ' THR . 0.1 OUTLIER -39.76 101.9 0.25 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.055 0.455 . . . . 0.0 110.574 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.521 ' CG ' ' HB3' ' A' ' 470' ' ' GLN . 52.0 Cg_endo -69.08 -43.53 3.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 123.138 2.559 . . . . 0.0 113.179 -179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.818 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 155.02 -179.35 31.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.301 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.443 ' O ' ' HB3' ' A' ' 472' ' ' ARG . 11.5 ptt180 -61.9 -42.64 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 111.075 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 472' ' ' ARG . 0.4 OUTLIER -63.35 -45.53 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 111.096 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.521 ' HB3' ' CG ' ' A' ' 466' ' ' PRO . 20.3 mm-40 -75.36 -43.72 48.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.757 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 467' ' ' GLY . 96.6 t -62.98 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.383 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 473' ' ' ASP . 9.3 ptm180 -62.71 -40.19 96.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.119 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.536 ' N ' ' HG3' ' A' ' 472' ' ' ARG . 13.8 t70 -66.47 -35.18 79.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.546 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 478' ' ' ILE . 0.6 OUTLIER -66.76 -58.97 4.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.237 0.542 . . . . 0.0 110.793 179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.743 ' CD1' HG21 ' A' ' 481' ' ' VAL . 2.1 pp -62.17 -40.08 94.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.874 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.11 -24.74 65.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.267 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.17 -29.97 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.643 ' HB ' HG23 ' A' ' 506' ' ' VAL . 4.5 mm -80.61 -32.4 13.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 476' ' ' ALA . 0.1 OUTLIER -170.63 160.94 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.78 117.33 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.743 HG21 ' CD1' ' A' ' 475' ' ' LEU . 29.3 m -107.07 161.34 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.454 HD11 ' HD2' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -80.97 -67.61 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.755 179.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -145.41 141.91 28.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.28 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.477 HG11 ' HB3' ' A' ' 472' ' ' ARG . 2.0 p -106.81 122.23 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.042 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 493' ' ' CYS . 1.5 t0 -97.3 131.66 43.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.418 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.747 HD22 ' CA ' ' A' ' 489' ' ' GLY . 0.9 OUTLIER -129.51 126.91 39.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.301 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.33 114.67 22.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 111.27 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 42.23 27.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.446 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . 0.747 ' CA ' HD22 ' A' ' 486' ' ' LEU . . . 68.3 5.9 44.72 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.652 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.467 ' O ' ' O ' ' A' ' 489' ' ' GLY . 6.4 t0 -53.68 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.853 ' HA ' HD13 ' A' ' 465' ' ' LEU . 24.8 p -95.8 12.52 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 492' ' ' GLU . 4.4 pm0 -125.76 119.34 27.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.113 0.482 . . . . 0.0 111.531 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 485' ' ' ASP . 0.1 OUTLIER -137.93 148.33 45.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.386 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.494 ' HA ' ' O ' ' A' ' 457' ' ' VAL . 8.3 m80 -124.52 105.95 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 484' ' ' VAL . . . -87.05 133.89 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.494 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.589 ' HD2' ' CH2' ' A' ' 533' ' ' TRP . 0.0 OUTLIER -95.12 131.2 41.39 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.654 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.723 ' CE2' HG21 ' A' ' 457' ' ' VAL . 1.8 m-85 -109.34 153.58 23.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.759 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.454 ' HD2' HD11 ' A' ' 482' ' ' LEU . 0.6 OUTLIER -81.59 -19.6 41.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.82 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.469 ' C ' HG21 ' A' ' 455' ' ' VAL . 3.0 p -138.51 151.92 70.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.975 0.417 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.511 ' HA ' HG11 ' A' ' 455' ' ' VAL . 61.9 Cg_endo -75.28 -36.97 2.1 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.882 2.388 . . . . 0.0 112.587 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.35 -39.75 91.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.207 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -39.43 92.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.987 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.47 ' O ' HG13 ' A' ' 507' ' ' ILE . 0.0 OUTLIER -61.85 -42.35 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.37 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.982 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.643 HG23 ' HB ' ' A' ' 478' ' ' ILE . 5.8 p -68.64 -42.92 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 508' ' ' ASN . 2.6 pp -64.79 -33.62 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.34 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.715 ' N ' HD12 ' A' ' 507' ' ' ILE . 47.2 m-20 -70.35 -40.68 73.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.185 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 478' ' ' ILE . . . -76.58 -26.25 54.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.651 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.918 ' CD1' HD12 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -66.05 -18.51 65.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 508' ' ' ASN . 4.6 t -49.08 -37.67 22.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.287 0.565 . . . . 0.0 109.731 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 515' ' ' LYS . 7.2 mm-40 -65.28 -26.17 67.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.061 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.835 HD11 ' CE2' ' A' ' 510' ' ' TYR . 3.2 mm -40.65 -39.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.047 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -57.34 -28.54 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.45 ' HD2' ' HB3' ' A' ' 512' ' ' GLU . 0.1 OUTLIER -54.85 -27.48 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.974 0.416 . . . . 0.0 110.6 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.593 ' HD3' ' CE1' ' A' ' 517' ' ' HIS . 0.0 OUTLIER -111.27 -46.93 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.359 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.593 ' CE1' ' HD3' ' A' ' 516' ' ' LYS . 2.2 m-70 -156.18 129.85 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.486 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.437 ' SG ' ' HE2' ' A' ' 520' ' ' LYS . 48.1 t -54.23 119.31 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.111 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.763 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.3 OUTLIER -140.29 143.49 35.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.278 0.561 . . . . 0.0 111.38 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.792 ' HB2' HG22 ' A' ' 460' ' ' ILE . 2.0 mmtp -109.08 131.3 55.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.314 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.918 HD12 ' CD1' ' A' ' 510' ' ' TYR . 0.4 OUTLIER -129.12 114.6 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.53 140.6 47.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.252 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.405 HD11 HG12 ' A' ' 507' ' ' ILE . 9.0 mt -97.47 120.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.991 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 529' ' ' GLU . 0.6 OUTLIER -64.96 143.58 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.995 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 162.71 39.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.411 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 529' ' ' GLU . . . 53.94 -165.5 2.33 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.909 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 2.2 m-20 -38.63 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 526' ' ' GLY . 0.2 OUTLIER -64.39 -46.59 82.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 2.6 tt0 -67.46 -45.68 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.078 0.466 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 527' ' ' ASP . 2.0 pp0? -63.31 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.414 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.3 OUTLIER -56.69 -55.65 31.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.7 ' HE1' HD11 ' A' ' 536' ' ' ILE . 24.9 t80 -53.72 -42.05 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.352 0.596 . . . . 0.0 110.003 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.598 ' CE3' HD12 ' A' ' 536' ' ' ILE . 29.5 m95 -60.77 -36.55 79.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.472 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 13.6 mm100 -56.47 -38.85 72.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.592 ' HE2' ' CD2' ' A' ' 532' ' ' TYR . 0.4 OUTLIER -62.55 -41.08 98.68 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.57 178.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.7 HD11 ' HE1' ' A' ' 532' ' ' TYR . 58.0 mt -64.42 -67.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -43.29 -63.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.45 ' HA ' ' NE2' ' A' ' 541' ' ' GLN . 79.1 t -53.54 -38.58 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 535' ' ' LYS . 57.6 t0 -63.98 -38.1 89.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.7 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -40.9 98.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 538' ' ' VAL . 40.9 mt-30 -63.37 -42.93 98.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.225 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.84 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.727 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -36.17 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.196 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 544' ' ' LEU . 0.4 OUTLIER -57.03 -23.89 49.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.752 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -124.54 66.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.238 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -38.3 122.95 1.09 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.08 -171.02 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.815 2.343 . . . . 0.0 112.504 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.16 61.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.0 162.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -68.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.96 24.0 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.63 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . 111.2 -32.71 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.268 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 53.2 p -141.64 100.82 3.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 111.061 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.19 176.02 7.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.45 126.85 53.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 558' ' ' ILE . 9.8 mt -89.04 20.58 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 557' ' ' LEU . 29.8 mt 58.24 124.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 559' ' ' THR . 12.9 t -175.48 66.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.416 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.33 143.38 1.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.031 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.82 90.25 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 14.01 14.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.68 150.23 29.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -97.45 -177.95 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.46 123.45 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -97.44 119.66 36.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 445' ' ' ASN . 1.5 m -130.01 139.03 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 444' ' ' SER . 1.2 m-20 83.68 47.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.606 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -99.73 -60.1 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.178 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' THR . . . . . . . . . . . . . 24.9 p 55.8 -158.1 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' GLY . . . . . . . . . . . . . . . 115.36 -75.85 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.757 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.89 -175.44 2.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.863 2.376 . . . . 0.0 112.371 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.87 -145.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.519 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 451' ' ' PHE . 50.3 p90 -52.72 109.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.772 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 452' ' ' VAL . 15.3 m -43.29 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.38 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . 0.583 ' HB2' ' CD1' ' A' ' 533' ' ' TRP . 1.1 p -72.09 18.32 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 497' ' ' PHE . . . 33.0 30.92 0.01 OUTLIER Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.047 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 499' ' ' THR . 0.1 OUTLIER 34.45 86.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.772 0.32 . . . . 0.0 110.962 -179.62 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.963 HD11 ' CE2' ' A' ' 533' ' ' TRP . 29.0 mm -63.99 125.7 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.633 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.846 HG21 ' CE1' ' A' ' 497' ' ' PHE . 10.8 t -112.73 102.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.612 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -80.2 118.26 21.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ILE . . . . . . . . . . . . . 6.3 mt -112.97 124.2 69.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.887 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.816 HG22 ' HB2' ' A' ' 520' ' ' LYS . 0.0 OUTLIER -131.46 135.71 58.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.444 178.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' SER . . . . . 0.692 ' CB ' HD12 ' A' ' 465' ' ' LEU . 85.4 p -109.39 171.6 7.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.072 0.463 . . . . 0.0 111.505 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . 0.661 HG23 ' NZ ' ' A' ' 520' ' ' LYS . 1.2 p -112.34 17.05 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.729 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' GLU . . . . . 0.583 ' N ' ' CD ' ' A' ' 464' ' ' PRO . 4.2 tt0 156.69 -45.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.151 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 463' ' ' GLU . 32.4 Cg_exo -58.55 -140.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.789 2.326 . . . . 0.0 112.143 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.791 HD21 ' SG ' ' A' ' 493' ' ' CYS . 0.2 OUTLIER 75.62 73.12 0.21 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.342 0.592 . . . . 0.0 110.525 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . 0.547 ' HG2' ' CB ' ' A' ' 470' ' ' GLN . 18.2 Cg_endo -58.6 -34.34 98.79 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 123.638 2.892 . . . . 0.0 112.901 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.965 ' O ' HG23 ' A' ' 471' ' ' VAL . . . 157.58 176.17 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.098 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 469' ' ' LYS . 1.7 ptt180 -61.4 -37.87 85.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.482 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 468' ' ' ARG . 0.5 OUTLIER -62.51 -45.56 92.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 111.414 -179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.547 ' CB ' ' HG2' ' A' ' 466' ' ' PRO . 32.8 mm-40 -77.4 -43.7 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 467' ' ' GLY . 38.9 t -61.33 -43.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.419 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.788 ' HB3' HG11 ' A' ' 484' ' ' VAL . 20.5 ptt180 -63.23 -43.52 97.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.192 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 477' ' ' ALA . 50.4 m-20 -63.69 -35.4 80.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.7 4.26 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.162 0.505 . . . . 0.0 111.387 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.95 ' CD1' HG21 ' A' ' 481' ' ' VAL . 3.2 pp -64.27 -40.69 96.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.112 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.66 ' N ' HD12 ' A' ' 475' ' ' LEU . . . -68.83 -25.24 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.578 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 473' ' ' ASP . . . -73.33 -30.88 63.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.283 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.89 -32.11 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.346 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' SER . . . . . . . . . . . . . 1.7 p -166.85 124.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.745 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -46.45 125.39 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.414 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.95 HG21 ' CD1' ' A' ' 475' ' ' LEU . 0.5 OUTLIER -115.29 164.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.894 179.638 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 482' ' ' LEU . 0.4 OUTLIER -76.81 -71.09 0.42 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -147.4 142.11 26.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.436 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' VAL . . . . . 0.788 HG11 ' HB3' ' A' ' 472' ' ' ARG . 6.2 p -102.86 116.25 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 494' ' ' HIS . 22.3 t70 -101.4 86.6 3.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 493' ' ' CYS . 2.8 tt -91.39 130.81 37.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 490' ' ' ASP . 4.3 mp -69.94 90.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.997 0.427 . . . . 0.0 110.641 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 487' ' ' LEU . 1.6 tt0 -35.59 122.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.068 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 77.97 12.48 84.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.65 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 487' ' ' LEU . 11.9 t0 -120.65 160.38 23.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.052 0.453 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 7.2 p -93.52 12.69 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.462 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.1 128.17 41.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.511 . . . . 0.0 111.658 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' CYS . . . . . 0.791 ' SG ' HD21 ' A' ' 465' ' ' LEU . 0.5 OUTLIER -127.19 143.73 51.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' HIS . . . . . 0.46 ' HB2' ' OH ' ' A' ' 532' ' ' TYR . 12.7 m80 -125.11 102.04 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.752 0.311 . . . . 0.0 110.758 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 457' ' ' VAL . . . -89.88 127.82 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.093 0.473 . . . . 0.0 111.679 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 482' ' ' LEU . 5.5 mtp180 -84.87 129.64 34.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.505 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.846 ' CE1' HG21 ' A' ' 457' ' ' VAL . 2.7 m-85 -102.37 146.21 28.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.338 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -78.78 -17.17 56.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.5 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' THR . . . . . 0.566 ' O ' HG21 ' A' ' 455' ' ' VAL . 0.2 OUTLIER -139.37 152.0 68.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.457 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' PRO . . . . . 0.496 ' HA ' HG11 ' A' ' 455' ' ' VAL . 74.1 Cg_endo -74.15 -39.15 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.975 2.45 . . . . 0.0 112.462 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.08 -37.1 81.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -37.81 87.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.416 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 506' ' ' VAL . . . -66.77 -43.61 83.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 111.247 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.546 ' O ' HG13 ' A' ' 507' ' ' ILE . 16.8 tt0 -62.99 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.22 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.31 92.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.085 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 503' ' ' ALA . 11.7 p -68.58 -42.65 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.67 HG22 HD12 ' A' ' 521' ' ' LEU . 1.2 pt -65.12 -32.4 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.516 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.411 ' N ' HG13 ' A' ' 507' ' ' ILE . 75.0 m-20 -70.21 -40.07 74.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.354 0.597 . . . . 0.0 109.881 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.42 55.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.861 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' TYR . . . . . 0.592 ' CD1' ' HG ' ' A' ' 521' ' ' LEU . 0.1 OUTLIER -63.52 -23.26 67.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . . . . . . . . . 66.7 p -49.4 -37.54 25.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.21 0.528 . . . . 0.0 109.981 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -27.05 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.156 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.576 HG13 ' CG ' ' A' ' 510' ' ' TYR . 15.1 mm -45.52 -39.09 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.712 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.77 -21.8 56.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.579 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -45.45 -24.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . 0.537 ' HG2' ' NE2' ' A' ' 517' ' ' HIS . 1.3 tppt? -130.44 -53.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.664 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' HIS . . . . . 0.537 ' NE2' ' HG2' ' A' ' 516' ' ' LYS . 2.1 m-70 -127.68 110.46 12.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.3 111.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' TRP . . . . . 0.629 ' CH2' HG13 ' A' ' 471' ' ' VAL . 0.0 OUTLIER -124.22 146.08 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.436 0.636 . . . . 0.0 112.078 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . 0.816 ' HB2' HG22 ' A' ' 460' ' ' ILE . 1.9 mmtp -109.52 135.86 49.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.628 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.67 HD12 HG22 ' A' ' 507' ' ' ILE . 0.3 OUTLIER -132.69 124.7 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.376 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.82 133.27 30.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.518 HG12 ' HB1' ' A' ' 503' ' ' ALA . 3.5 mt -94.67 117.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.681 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.532 ' HB2' ' HB ' ' A' ' 456' ' ' ILE . 2.5 mm? -63.18 141.72 58.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.37 . . . . 0.0 111.095 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 1.9 t -147.53 162.71 38.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.204 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 54.39 -154.58 8.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.987 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -30.23 4.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.47 0.176 . . . . 0.0 111.331 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -46.58 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 524' ' ' LEU . 11.1 tt0 -67.68 -44.78 76.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.15 0.5 . . . . 0.0 110.405 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.047 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 534' ' ' GLN . 0.0 OUTLIER -62.21 -53.12 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.148 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.851 ' HE1' HD11 ' A' ' 536' ' ' ILE . 34.8 t80 -54.55 -43.28 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.422 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.963 ' CE2' HD11 ' A' ' 456' ' ' ILE . 28.6 m95 -62.02 -42.03 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 531' ' ' ARG . 3.7 mt-30 -50.08 -44.44 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 532' ' ' TYR . 0.0 OUTLIER -62.87 -38.51 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.545 178.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ILE . . . . . 0.851 HD11 ' HE1' ' A' ' 532' ' ' TYR . 6.6 mt -62.49 -68.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.545 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 35.9 mt -40.05 -59.22 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.593 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.35 -38.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.768 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 536' ' ' ILE . 27.1 t70 -63.62 -38.73 92.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.95 0.405 . . . . 0.0 110.251 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -41.2 99.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.227 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 544' ' ' LEU . 2.7 mp0 -62.84 -42.39 99.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.435 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.28 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.49 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 544' ' ' LEU . 14.2 mttt -63.72 -10.5 19.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.863 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 541' ' ' GLN . 0.6 OUTLIER -37.2 -34.23 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 547' ' ' PRO . 29.9 m120 -108.19 63.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 545' ' ' ASN . 3.8 mt-30 -33.8 93.38 0.06 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 545' ' ' ASN . 77.3 Cg_exo -50.93 99.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.754 2.303 . . . . 0.0 112.55 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.424 ' NH1' ' HD2' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -79.97 110.03 14.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.82 98.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.424 ' HD2' ' NH1' ' A' ' 548' ' ' ARG . 0.1 OUTLIER -162.46 51.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.416 ' HG3' ' C ' ' A' ' 550' ' ' LYS . 36.3 mttm 76.14 94.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER -120.63 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 555' ' ' GLU . . . -56.27 -115.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 44.6 52.4 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 553' ' ' GLY . 0.1 OUTLIER 178.38 122.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.98 104.42 14.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.801 HD11 ' CB ' ' A' ' 561' ' ' ALA . 0.7 OUTLIER -102.31 142.19 33.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 32.7 pt -50.41 155.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 561' ' ' ALA . 0.2 OUTLIER 67.1 118.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.012 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 87.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.801 ' CB ' HD11 ' A' ' 557' ' ' LEU . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 stop_ save_